 Entering Gaussian System, Link 0=g16
 Input=36b_RhEn3-lel2ob_STD_M11-augccpVDZr.in
 Output=36b_RhEn3-lel2ob_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36b_RhEn3-lel2ob_STD/Gau-34154.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36b_RhEn3-lel2ob_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     34156.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36b_RhEn3-lel2ob_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:38:50 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36b_RhEn3-lel2ob_STD_M11-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.549130000000     -1.314427000000     -0.788263000000
  C                                                -2.489211000000     -1.476014000000      0.711136000000
  N                                                -1.044481000000     -1.454430000000      1.136257000000
  Rh                                               -0.000130000000      0.001194000000     -0.000069000000
  N                                                 0.979011000000     -1.499359000000     -1.135079000000
  C                                                 2.421772000000     -1.582914000000     -0.710906000000
  C                                                 2.489662000000     -1.422620000000      0.788334000000
  N                                                 1.765206000000     -0.157327000000      1.164490000000
  N                                                -1.771326000000     -0.081265000000     -1.164692000000
  N                                                 0.846355000000      1.588228000000     -1.125363000000
  C                                                 0.738354000000      2.867165000000     -0.338772000000
  H                                                 3.522736000000     -1.386984000000      1.135893000000
  H                                                 2.001302000000     -2.252121000000      1.300550000000
  H                                                 2.857264000000     -2.531090000000     -1.027803000000
  H                                                 2.968216000000     -0.788605000000     -1.220402000000
  H                                                -2.965540000000     -2.404079000000      1.028788000000
  H                                                -3.001107000000     -0.658112000000      1.219196000000
  H                                                -3.579527000000     -1.235079000000     -1.136554000000
  H                                                -2.096291000000     -2.164483000000     -1.299497000000
  H                                                -2.362756000000      0.735150000000     -1.010250000000
  H                                                -1.609574000000     -0.093550000000     -2.171636000000
  H                                                -0.655838000000     -2.389231000000      1.013613000000
  H                                                -1.001113000000     -1.293216000000      2.142374000000
  H                                                 0.550136000000     -2.416064000000     -1.010284000000
  H                                                 0.941873000000     -1.338186000000     -2.141433000000
  H                                                 2.390480000000      0.633399000000      1.009972000000
  H                                                 1.602819000000     -0.162719000000      2.171382000000
  C                                                -0.610551000000      2.897132000000      0.338045000000
  N                                                -0.774945000000      1.624430000000      1.124896000000
  H                                                 1.817285000000      1.452090000000     -1.405369000000
  H                                                 0.343548000000      1.706576000000     -2.005010000000
  H                                                 1.547070000000      2.884615000000      0.392932000000
  H                                                 0.872026000000      3.729136000000     -0.993286000000
  H                                                -0.705735000000      3.764310000000      0.992421000000
  H                                                -1.417928000000      2.950178000000     -0.393378000000
  H                                                -1.750811000000      1.531991000000      1.405639000000
  H                                                -0.266808000000      1.720469000000      2.004222000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1          12          14           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  14.0030740   1.0078250
 NucSpn=           1           1           1           1           1           1           1           0           2           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   4.5500000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.4037610   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   7.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:38:51 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549130   -1.314427   -0.788263
      2          6           0       -2.489211   -1.476014    0.711136
      3          7           0       -1.044481   -1.454430    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979011   -1.499359   -1.135079
      6          6           0        2.421772   -1.582914   -0.710906
      7          6           0        2.489662   -1.422620    0.788334
      8          7           0        1.765206   -0.157327    1.164490
      9          7           0       -1.771326   -0.081265   -1.164692
     10          7           0        0.846355    1.588228   -1.125363
     11          6           0        0.738354    2.867165   -0.338772
     12          1           0        3.522736   -1.386984    1.135893
     13          1           0        2.001302   -2.252121    1.300550
     14          1           0        2.857264   -2.531090   -1.027803
     15          1           0        2.968216   -0.788605   -1.220402
     16          1           0       -2.965540   -2.404079    1.028788
     17          1           0       -3.001107   -0.658112    1.219196
     18          1           0       -3.579527   -1.235079   -1.136554
     19          1           0       -2.096291   -2.164483   -1.299497
     20          1           0       -2.362756    0.735150   -1.010250
     21          1           0       -1.609574   -0.093550   -2.171636
     22          1           0       -0.655838   -2.389231    1.013613
     23          1           0       -1.001113   -1.293216    2.142374
     24          1           0        0.550136   -2.416064   -1.010284
     25          1           0        0.941873   -1.338186   -2.141433
     26          1           0        2.390480    0.633399    1.009972
     27          1           0        1.602819   -0.162719    2.171382
     28          6           0       -0.610551    2.897132    0.338045
     29          7           0       -0.774945    1.624430    1.124896
     30          1           0        1.817285    1.452090   -1.405369
     31          1           0        0.343548    1.706576   -2.005010
     32          1           0        1.547070    2.884615    0.392932
     33          1           0        0.872026    3.729136   -0.993286
     34          1           0       -0.705735    3.764310    0.992421
     35          1           0       -1.417928    2.950178   -0.393378
     36          1           0       -1.750811    1.531991    1.405639
     37          1           0       -0.266808    1.720469    2.004222
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509271   0.000000
     3  N    2.446906   1.506134   0.000000
     4  Rh   2.974812   2.980517   2.121496   0.000000
     5  N    3.549966   3.929074   3.042286   2.120996   0.000000
     6  C    4.978748   5.113842   3.929813   2.979983   1.506142
     7  C    5.280794   4.979758   3.551370   2.974540   2.446931
     8  N    4.874999   4.477112   3.094772   2.120787   2.776179
     9  N    1.505778   2.445284   2.776374   2.121387   3.094547
    10  N    4.479772   4.887567   4.236503   2.121674   3.090451
    11  C    5.338099   5.512049   4.902081   2.978904   4.445059
    12  H    6.369866   6.027591   4.567715   3.953231   3.411815
    13  H    5.094001   4.595047   3.152792   3.282494   2.746638
    14  H    5.546778   5.720305   4.589768   3.953909   2.145649
    15  H    5.559167   5.829827   4.700947   3.305159   2.114093
    16  H    2.159262   1.090457   2.145659   3.954433   4.589153
    17  H    2.159844   1.090471   2.114092   3.305625   4.700175
    18  H    1.090560   2.158888   3.411780   3.953739   4.566193
    19  H    1.090421   2.161254   2.746521   3.282158   3.150699
    20  H    2.069971   2.805068   3.337604   2.672295   4.021942
    21  H    2.070514   3.315923   3.621254   2.704624   3.122743
    22  H    2.826042   2.070438   1.019773   2.677991   2.842795
    23  H    3.314429   2.072750   1.019874   2.695835   3.834721
    24  H    3.296718   3.617266   2.841686   2.677025   1.019733
    25  H    3.744160   4.464133   3.834367   2.695691   1.019855
    26  H    5.606017   5.324501   4.021683   2.671120   3.337985
    27  H    5.227295   4.538917   3.122210   2.703981   3.620556
    28  C    4.771152   4.774198   4.445394   2.978824   4.901626
    29  N    3.929986   3.566884   3.090657   2.121504   4.235789
    30  H    5.205768   5.621325   4.805978   2.717161   3.080067
    31  H    4.355975   5.052806   4.667563   2.654474   3.382102
    32  H    5.983814   5.950454   5.108422   3.295815   4.677257
    33  H    6.097858   6.426240   5.922610   3.955337   5.231511
    34  H    5.688806   5.542644   5.231700   3.955244   5.922064
    35  H    4.429719   4.686019   4.677587   3.295656   5.108211
    36  H    3.681388   3.174218   3.080613   2.717396   4.805857
    37  H    4.713551   4.102274   3.382029   2.654092   4.666323
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509312   0.000000
     8  N    2.445503   1.505754   0.000000
     9  N    4.476934   4.875404   4.235320   0.000000
    10  N    3.565088   3.927837   3.022363   3.104997   0.000000
    11  C    4.772377   4.768616   3.530124   3.959025   1.505347
    12  H    2.158976   1.090554   2.145177   5.918166   4.596540
    13  H    2.161154   1.090382   2.112443   5.002275   4.686922
    14  H    1.090465   2.159211   3.410790   5.238724   4.584981
    15  H    1.090465   2.160095   2.744714   4.792358   3.187579
    16  H    5.720488   5.548000   5.238919   3.410713   5.925321
    17  H    5.829937   5.560455   4.792861   2.743727   5.034478
    18  H    6.026421   6.369884   5.917983   2.145150   5.249726
    19  H    4.593208   5.093168   5.001107   2.112717   4.772036
    20  H    5.324916   5.606856   4.750377   1.019890   3.322557
    21  H    4.539129   5.227962   4.745834   1.019927   3.155099
    22  H    3.618811   3.298372   3.296303   3.363931   4.759410
    23  H    4.465565   3.746422   3.146271   3.605376   4.732226
    24  H    2.070456   2.825548   3.362727   3.296106   4.016882
    25  H    2.072776   3.314561   3.605750   3.145683   3.099261
    26  H    2.806144   2.070308   1.019849   4.749793   2.802798
    27  H    3.315904   2.070426   1.019917   4.745617   3.808751
    28  C    5.510544   5.336135   3.956887   3.532204   2.444866
    29  N    4.886330   4.478331   3.102997   3.023968   2.773732
    30  H    3.171582   3.678095   3.032674   3.909889   1.019628
    31  H    4.100544   4.711735   3.942204   2.893994   1.020098
    32  H    4.684269   4.426861   3.145838   4.715335   2.115855
    33  H    5.540697   5.686080   4.534133   4.640673   2.145132
    34  H    6.424596   6.095610   4.638361   4.536195   3.410180
    35  H    5.949205   5.982229   4.713373   3.147930   2.741840
    36  H    5.620751   5.205036   3.908238   3.034735   3.626900
    37  H    5.051012   4.353794   2.891427   3.943582   3.324293
                   11         12         13         14         15
    11  C    0.000000
    12  H    5.293884   0.000000
    13  H    5.521730   1.757935   0.000000
    14  H    5.840009   2.536417   2.496342   0.000000
    15  H    4.371980   2.493527   3.071156   1.756604   0.000000
    16  H    6.585975   6.568385   4.976592   6.176629   6.548135
    17  H    5.370141   6.564962   5.250865   6.548096   6.449921
    18  H    6.009073   7.458501   6.174099   6.566868   6.563483
    19  H    5.854544   6.173256   4.853678   4.974528   5.248669
    20  H    3.822729   6.614257   5.771359   6.157698   5.548446
    21  H    4.199761   6.241260   5.454716   5.215611   4.726956
    22  H    5.603786   4.298829   2.676103   4.065635   4.548252
    23  H    5.146902   4.635408   3.262309   5.144845   5.226707
    24  H    5.329058   3.808075   2.733627   2.310060   2.922308
    25  H    4.579955   4.171822   3.715496   2.516330   2.292685
    26  H    3.088421   2.319441   2.926110   3.792678   2.707479
    27  H    4.028445   2.501428   2.298421   4.173440   3.709480
    28  C    1.509478   6.006186   5.853460   6.584594   5.368518
    29  N    2.444747   5.247742   4.771378   5.924137   5.033330
    30  H    2.074647   4.174556   4.590974   4.133985   2.525781
    31  H    2.068620   5.435312   5.417209   5.023098   3.705458
    32  H    1.090741   4.764641   5.236044   5.750214   4.256178
    33  H    1.090528   6.142829   6.504797   6.567556   4.985537
    34  H    2.159245   6.666062   6.604577   7.510548   6.254881
    35  H    2.158570   6.749800   6.451701   6.980262   5.822433
    36  H    3.319880   6.033529   5.330000   6.607921   5.877965
    37  H    2.795511   4.977038   4.628277   6.085126   5.211433
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756679   0.000000
    18  H    2.536187   2.493395   0.000000
    19  H    2.496780   3.071101   1.757934   0.000000
    20  H    3.791541   2.705384   2.319113   2.926182   0.000000
    21  H    4.173716   3.708482   2.501039   2.299192   1.613333
    22  H    2.309800   2.922212   3.808312   2.734208   4.095284
    23  H    2.516558   2.292508   4.171686   3.715508   3.988405
    24  H    4.064226   4.546680   4.297067   2.674044   4.291281
    25  H    5.143375   5.225267   4.632869   3.259151   4.061880
    26  H    6.157400   5.548061   6.613605   5.770000   5.165743
    27  H    5.215278   4.727389   6.240922   5.453208   5.162822
    28  C    5.841741   4.373894   5.297587   5.523487   3.092295
    29  N    4.586592   3.189779   4.599633   4.688230   2.805497
    30  H    6.608372   5.878622   6.034792   5.329811   4.259444
    31  H    6.086993   5.212866   4.979766   4.629866   3.042581
    32  H    6.981278   5.824048   6.752274   6.452270   4.677164
    33  H    7.512125   6.256531   6.669354   6.606014   4.407727
    34  H    6.569404   4.987783   6.146959   6.506698   3.991519
    35  H    5.752019   4.257535   4.768773   5.238414   2.485876
    36  H    4.136451   2.528745   4.178950   4.593587   2.616477
    37  H    5.024592   3.708140   5.438184   5.417972   3.801433
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.040492   0.000000
    23  H    4.518861   1.610765   0.000000
    24  H    3.377448   2.356110   3.688687   0.000000
    25  H    2.838999   3.689403   4.704064   1.610831   0.000000
    26  H    5.162511   4.291429   4.061660   4.094817   3.989607
    27  H    5.402412   3.376287   2.838895   4.038404   4.518733
    28  C    4.029978   5.329548   4.578991   5.603145   5.147402
    29  N    3.809880   4.016970   3.098237   4.758196   4.732173
    30  H    3.836604   5.169483   5.297788   4.089544   3.015589
    31  H    2.661372   5.185219   5.292226   4.245977   3.105991
    32  H    5.040920   5.749043   5.196928   5.573158   4.961987
    33  H    4.707417   6.617887   6.210075   6.153648   5.196236
    34  H    5.070628   6.153780   5.195018   6.617028   6.210565
    35  H    3.530327   5.574019   4.960863   5.748948   5.197540
    36  H    3.931822   4.090065   3.014402   5.168963   5.298130
    37  H    4.746733   4.245266   3.104929   5.183199   5.291761
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613408   0.000000
    28  C    3.818659   4.197954   0.000000
    29  N    3.318925   3.153220   1.505301   0.000000
    30  H    2.613939   3.930236   3.319944   3.626513   0.000000
    31  H    3.798915   4.745764   2.796003   3.324769   1.611283
    32  H    2.481945   3.528773   2.158355   2.741458   2.314958
    33  H    3.987773   5.069094   2.159330   3.410131   2.499653
    34  H    4.403346   4.705415   1.090535   2.145093   4.178683
    35  H    4.673417   5.039150   1.090711   2.115701   3.706076
    36  H    4.256091   3.834741   2.074502   1.019645   4.543067
    37  H    3.038327   2.658918   2.068536   1.020118   4.005094
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.930250   0.000000
    33  H    2.322418   1.757982   0.000000
    34  H    3.784159   2.491662   2.536454   0.000000
    35  H    2.691970   3.068191   2.492098   1.757973   0.000000
    36  H    4.006164   3.705562   4.178703   2.499236   2.314849
    37  H    4.055449   2.691030   3.783747   2.322431   2.930145
                   36         37
    36  H    0.000000
    37  H    1.611239   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.63D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549129   -1.314430   -0.788263
      2          6           0       -2.489209   -1.476017    0.711136
      3          7           0       -1.044479   -1.454431    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979013   -1.499358   -1.135079
      6          6           0        2.421774   -1.582911   -0.710906
      7          6           0        2.489664   -1.422617    0.788334
      8          7           0        1.765206   -0.157325    1.164490
      9          7           0       -1.771326   -0.081267   -1.164692
     10          7           0        0.846353    1.588229   -1.125363
     11          6           0        0.738351    2.867166   -0.338772
     12          1           0        3.522738   -1.386980    1.135893
     13          1           0        2.001305   -2.252119    1.300550
     14          1           0        2.857267   -2.531087   -1.027803
     15          1           0        2.968217   -0.788602   -1.220402
     16          1           0       -2.965537   -2.404082    1.028788
     17          1           0       -3.001106   -0.658115    1.219196
     18          1           0       -3.579526   -1.235083   -1.136554
     19          1           0       -2.096289   -2.164485   -1.299497
     20          1           0       -2.362757    0.735147   -1.010250
     21          1           0       -1.609574   -0.093552   -2.171636
     22          1           0       -0.655835   -2.389232    1.013613
     23          1           0       -1.001112   -1.293217    2.142374
     24          1           0        0.550139   -2.416063   -1.010284
     25          1           0        0.941875   -1.338185   -2.141433
     26          1           0        2.390479    0.633402    1.009972
     27          1           0        1.602819   -0.162717    2.171382
     28          6           0       -0.610554    2.897131    0.338045
     29          7           0       -0.774947    1.624429    1.124896
     30          1           0        1.817283    1.452092   -1.405369
     31          1           0        0.343546    1.706576   -2.005010
     32          1           0        1.547067    2.884617    0.392932
     33          1           0        0.872022    3.729137   -0.993286
     34          1           0       -0.705739    3.764309    0.992421
     35          1           0       -1.417931    2.950176   -0.393378
     36          1           0       -1.750813    1.531989    1.405639
     37          1           0       -0.266810    1.720469    2.004222
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7011504           0.6913191           0.4695393
 Leave Link  202 at Thu Jul  8 21:38:51 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     28
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     29
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          1
                                   No pseudopotential on this center.
   13          1
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          6
                                   No pseudopotential on this center.
   29          7
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.2090739051 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 21:38:54 2021, MaxMem= 10737418240 cpu:              41.6 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29884 LenP2D=  115137.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.16D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul  8 21:38:56 2021, MaxMem= 10737418240 cpu:              30.5 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:38:57 2021, MaxMem= 10737418240 cpu:               3.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36b_RhEn3-lel2ob_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:38:59 2021, MaxMem= 10737418240 cpu:              23.1 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.531290140049    
 DIIS: error= 3.93D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.531290140049     IErMin= 1 ErrMin= 3.93D-02
 ErrMax= 3.93D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-01 BMatP= 1.16D-01
 IDIUse=3 WtCom= 6.07D-01 WtEn= 3.93D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 GapD=    0.445 DampG=2.000 DampE=0.250 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.51D-02 MaxDP=4.15D+00              OVMax= 3.42D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.60D-03    CP:  1.15D+00
 E= -680.545694539267     Delta-E=       -0.014404399218 Rises=F Damp=T
 DIIS: error= 2.01D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.545694539267     IErMin= 2 ErrMin= 2.01D-02
 ErrMax= 2.01D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-02 BMatP= 1.16D-01
 IDIUse=3 WtCom= 7.99D-01 WtEn= 2.01D-01
 Coeff-Com: -0.920D+00 0.192D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.736D+00 0.174D+01
 Gap=     0.455 Goal=   None    Shift=    0.000
 RMSDP=1.20D-02 MaxDP=3.97D+00 DE=-1.44D-02 OVMax= 1.86D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.75D-03    CP:  1.43D+00  2.44D+00
 E= -680.559176753454     Delta-E=       -0.013482214187 Rises=F Damp=F
 DIIS: error= 4.26D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.559176753454     IErMin= 3 ErrMin= 4.26D-03
 ErrMax= 4.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-03 BMatP= 3.04D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.26D-02
 Coeff-Com: -0.531D+00 0.103D+01 0.499D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.509D+00 0.989D+00 0.520D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=4.46D-01 DE=-1.35D-02 OVMax= 1.61D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.26D-04    CP:  1.40D+00  2.40D+00  6.63D-01
 E= -680.562785787241     Delta-E=       -0.003609033787 Rises=F Damp=F
 DIIS: error= 5.28D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.562785787241     IErMin= 4 ErrMin= 5.28D-04
 ErrMax= 5.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-04 BMatP= 5.53D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.28D-03
 Coeff-Com:  0.165D-05-0.482D-02 0.164D+00 0.841D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.164D-05-0.480D-02 0.163D+00 0.842D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=5.70D-04 MaxDP=2.03D-01 DE=-3.61D-03 OVMax= 2.63D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.01D-04    CP:  1.42D+00  2.44D+00  7.93D-01  9.54D-01
 E= -680.562970107076     Delta-E=       -0.000184319836 Rises=F Damp=F
 DIIS: error= 7.19D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.562970107076     IErMin= 5 ErrMin= 7.19D-05
 ErrMax= 7.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-06 BMatP= 2.42D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.723D-01-0.142D+00-0.292D-01 0.138D+00 0.960D+00
 Coeff:      0.723D-01-0.142D+00-0.292D-01 0.138D+00 0.960D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.78D-04 MaxDP=6.45D-02 DE=-1.84D-04 OVMax= 1.07D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.26D-05    CP:  1.42D+00  2.45D+00  8.35D-01  9.61D-01  1.09D+00
 E= -680.562981158599     Delta-E=       -0.000011051523 Rises=F Damp=F
 DIIS: error= 1.99D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.562981158599     IErMin= 6 ErrMin= 1.99D-05
 ErrMax= 1.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-07 BMatP= 5.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-01-0.342D-01-0.173D-01-0.277D-01 0.290D+00 0.772D+00
 Coeff:      0.176D-01-0.342D-01-0.173D-01-0.277D-01 0.290D+00 0.772D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.18D-05 MaxDP=2.89D-03 DE=-1.11D-05 OVMax= 2.68D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.22D-06    CP:  1.42D+00  2.45D+00  8.33D-01  9.63D-01  1.16D+00
                    CP:  9.19D-01
 E= -680.562982034953     Delta-E=       -0.000000876355 Rises=F Damp=F
 DIIS: error= 8.50D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.562982034953     IErMin= 7 ErrMin= 8.50D-06
 ErrMax= 8.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.18D-08 BMatP= 7.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.665D-02 0.131D-01 0.947D-03-0.327D-01-0.664D-01 0.205D+00
 Coeff-Com:  0.887D+00
 Coeff:     -0.665D-02 0.131D-01 0.947D-03-0.327D-01-0.664D-01 0.205D+00
 Coeff:      0.887D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=8.33D-06 MaxDP=2.16D-03 DE=-8.76D-07 OVMax= 8.78D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.43D-06    CP:  1.42D+00  2.45D+00  8.33D-01  9.58D-01  1.18D+00
                    CP:  9.55D-01  1.20D+00
 E= -680.562982155722     Delta-E=       -0.000000120769 Rises=F Damp=F
 DIIS: error= 1.91D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.562982155722     IErMin= 8 ErrMin= 1.91D-06
 ErrMax= 1.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-09 BMatP= 9.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.326D-02 0.641D-02 0.136D-02-0.107D-01-0.396D-01 0.244D-01
 Coeff-Com:  0.279D+00 0.742D+00
 Coeff:     -0.326D-02 0.641D-02 0.136D-02-0.107D-01-0.396D-01 0.244D-01
 Coeff:      0.279D+00 0.742D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.07D-06 MaxDP=9.58D-05 DE=-1.21D-07 OVMax= 1.66D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.26D-07    CP:  1.42D+00  2.45D+00  8.33D-01  9.57D-01  1.18D+00
                    CP:  9.62D-01  1.26D+00  1.00D+00
 E= -680.562982163143     Delta-E=       -0.000000007421 Rises=F Damp=F
 DIIS: error= 7.37D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.562982163143     IErMin= 9 ErrMin= 7.37D-07
 ErrMax= 7.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-10 BMatP= 6.50D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.305D-03-0.606D-03 0.164D-03 0.239D-02 0.227D-02-0.203D-01
 Coeff-Com: -0.658D-01 0.105D+00 0.976D+00
 Coeff:      0.305D-03-0.606D-03 0.164D-03 0.239D-02 0.227D-02-0.203D-01
 Coeff:     -0.658D-01 0.105D+00 0.976D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=5.67D-07 MaxDP=1.40D-04 DE=-7.42D-09 OVMax= 9.64D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.08D-07    CP:  1.42D+00  2.45D+00  8.33D-01  9.57D-01  1.18D+00
                    CP:  9.58D-01  1.29D+00  1.09D+00  1.09D+00
 E= -680.562982163890     Delta-E=       -0.000000000748 Rises=F Damp=F
 DIIS: error= 4.25D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.562982163890     IErMin=10 ErrMin= 4.25D-07
 ErrMax= 4.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-11 BMatP= 3.70D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-03-0.265D-03-0.102D-03 0.347D-03 0.187D-02 0.671D-03
 Coeff-Com: -0.603D-02-0.529D-01-0.108D+00 0.116D+01
 Coeff:      0.135D-03-0.265D-03-0.102D-03 0.347D-03 0.187D-02 0.671D-03
 Coeff:     -0.603D-02-0.529D-01-0.108D+00 0.116D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.04D-07 MaxDP=2.01D-05 DE=-7.48D-10 OVMax= 6.28D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.84D-08    CP:  1.42D+00  2.45D+00  8.33D-01  9.57D-01  1.19D+00
                    CP:  9.58D-01  1.29D+00  1.10D+00  1.11D+00  1.22D+00
 E= -680.562982164015     Delta-E=       -0.000000000125 Rises=F Damp=F
 DIIS: error= 2.52D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.562982164015     IErMin=11 ErrMin= 2.52D-07
 ErrMax= 2.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.55D-12 BMatP= 2.64D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.735D-04 0.145D-03-0.324D-05-0.409D-03-0.732D-03 0.269D-02
 Coeff-Com:  0.103D-01-0.250D-02-0.112D+00-0.263D+00 0.136D+01
 Coeff:     -0.735D-04 0.145D-03-0.324D-05-0.409D-03-0.732D-03 0.269D-02
 Coeff:      0.103D-01-0.250D-02-0.112D+00-0.263D+00 0.136D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=6.64D-08 MaxDP=2.07D-05 DE=-1.25D-10 OVMax= 4.94D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.83D-08    CP:  1.42D+00  2.45D+00  8.33D-01  9.57D-01  1.19D+00
                    CP:  9.58D-01  1.29D+00  1.10D+00  1.11D+00  1.31D+00
                    CP:  1.52D+00
 E= -680.562982164098     Delta-E=       -0.000000000083 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -680.562982164098     IErMin=12 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-12 BMatP= 6.55D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.638D-04 0.126D-03 0.253D-04-0.265D-03-0.766D-03 0.963D-03
 Coeff-Com:  0.568D-02 0.127D-01-0.200D-01-0.415D+00 0.598D+00 0.819D+00
 Coeff:     -0.638D-04 0.126D-03 0.253D-04-0.265D-03-0.766D-03 0.963D-03
 Coeff:      0.568D-02 0.127D-01-0.200D-01-0.415D+00 0.598D+00 0.819D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=2.31D-08 MaxDP=3.32D-06 DE=-8.30D-11 OVMax= 2.40D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.63D-08    CP:  1.42D+00  2.45D+00  8.33D-01  9.57D-01  1.19D+00
                    CP:  9.58D-01  1.29D+00  1.10D+00  1.11D+00  1.33D+00
                    CP:  1.72D+00  1.07D+00
 E= -680.562982164045     Delta-E=        0.000000000053 Rises=F Damp=F
 DIIS: error= 5.61D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -680.562982164098     IErMin=13 ErrMin= 5.61D-08
 ErrMax= 5.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-13 BMatP= 2.69D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.421D-05-0.832D-05 0.935D-05 0.427D-04 0.383D-05-0.556D-03
 Coeff-Com: -0.157D-02 0.513D-02 0.291D-01-0.538D-01-0.226D+00 0.263D+00
 Coeff-Com:  0.984D+00
 Coeff:      0.421D-05-0.832D-05 0.935D-05 0.427D-04 0.383D-05-0.556D-03
 Coeff:     -0.157D-02 0.513D-02 0.291D-01-0.538D-01-0.226D+00 0.263D+00
 Coeff:      0.984D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.27D-08 MaxDP=3.24D-06 DE= 5.28D-11 OVMax= 1.37D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.85D-09    CP:  1.42D+00  2.45D+00  8.33D-01  9.57D-01  1.19D+00
                    CP:  9.58D-01  1.29D+00  1.09D+00  1.11D+00  1.32D+00
                    CP:  1.76D+00  1.29D+00  1.14D+00
 E= -680.562982164007     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 1.93D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -680.562982164098     IErMin=14 ErrMin= 1.93D-08
 ErrMax= 1.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-14 BMatP= 4.60D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.541D-05-0.106D-04-0.509D-05 0.181D-04 0.776D-04 0.230D-04
 Coeff-Com: -0.216D-03-0.222D-02-0.386D-02 0.509D-01-0.949D-02-0.135D+00
 Coeff-Com: -0.213D+00 0.131D+01
 Coeff:      0.541D-05-0.106D-04-0.509D-05 0.181D-04 0.776D-04 0.230D-04
 Coeff:     -0.216D-03-0.222D-02-0.386D-02 0.509D-01-0.949D-02-0.135D+00
 Coeff:     -0.213D+00 0.131D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=4.92D-09 MaxDP=1.43D-06 DE= 3.84D-11 OVMax= 4.22D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.82D-09    CP:  1.42D+00  2.45D+00  8.33D-01  9.57D-01  1.19D+00
                    CP:  9.58D-01  1.29D+00  1.09D+00  1.11D+00  1.31D+00
                    CP:  1.74D+00  1.31D+00  1.23D+00  1.26D+00
 E= -680.562982164138     Delta-E=       -0.000000000131 Rises=F Damp=F
 DIIS: error= 8.99D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -680.562982164138     IErMin=15 ErrMin= 8.99D-09
 ErrMax= 8.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-15 BMatP= 3.28D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.249D-05 0.490D-05 0.368D-06-0.129D-04-0.277D-04 0.815D-04
 Coeff-Com:  0.324D-03-0.115D-03-0.355D-02-0.795D-02 0.398D-01 0.215D-02
 Coeff-Com: -0.869D-01-0.401D+00 0.146D+01
 Coeff:     -0.249D-05 0.490D-05 0.368D-06-0.129D-04-0.277D-04 0.815D-04
 Coeff:      0.324D-03-0.115D-03-0.355D-02-0.795D-02 0.398D-01 0.215D-02
 Coeff:     -0.869D-01-0.401D+00 0.146D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.69D-09 MaxDP=3.99D-07 DE=-1.31D-10 OVMax= 1.98D-07

 SCF Done:  E(RM11) =  -680.562982164     A.U. after   15 cycles
            NFock= 15  Conv=0.17D-08     -V/T= 2.1219
 KE= 6.066345793211D+02 PE=-3.903463006251D+03 EE= 1.418056370861D+03
 Leave Link  502 at Thu Jul  8 22:03:52 2021, MaxMem= 10737418240 cpu:           23850.9 elap:            1492.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.30080729D+03

 Leave Link  801 at Thu Jul  8 22:03:53 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 2.56D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.29D-01 4.31D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 3.70D-02 4.87D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 5.67D-03 1.96D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 9.26D-04 6.30D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 9.50D-05 2.54D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 1.55D-05 9.87D-04.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 1.02D-06 1.53D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 4.46D-08 4.01D-05.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 2.33D-09 8.31D-06.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 8.49D-11 1.42D-06.
     10 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 2.23D-12 2.18D-07.
      4 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 5.37D-14 2.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.153464D+03
      2 -0.968919D-02  0.152324D+03
      3 -0.515867D-01  0.375610D-03  0.124393D+03
 Isotropic polarizability for W=    0.085645      143.39 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.620368D+01 -0.950912D+02 -0.164474D+00
      2   0.633589D+01  0.101271D+03  0.156539D+00
      3  -0.132213D+00 -0.617952D+01  0.793528D-02
      4  -0.929940D+02  0.636047D+01 -0.472620D+01
      5  -0.163295D+00  0.868832D+00 -0.240778D+00
      6  -0.869540D+01  0.134465D+00 -0.938765D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.181128D+00  0.151818D+00  0.154199D+01
      2   0.667211D-01  0.359325D+01 -0.327500D-01
      3   0.203334D+01 -0.819144D-01 -0.576673D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.559503D+01 -0.220743D-01  0.320813D+01
      2  -0.117937D-02  0.396920D+01 -0.108565D+00
      3   0.209719D+01 -0.245777D-01 -0.956423D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.312015D+00 -0.575416D-01 -0.230666D+00
      2  -0.575416D-01 -0.198163D+01  0.120233D-01
      3  -0.230666D+00  0.120233D-01 -0.684998D+00
 OR G Eigenvalues:    -1.9831    -0.7358     0.3643  Iso=     0.7849
 Eigenvectors:
   (1)   0.024572   0.999686  -0.004893
   (2)   0.214970  -0.000504   0.976620
   (3)   0.976311  -0.025049  -0.214915
 w=    0.085645 a.u., Optical Rotation Beta=      0.7849 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      131.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.86D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.53D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.00D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 4.98D-01 2.65D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.90D-02 2.52D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 3.74D-04 3.61D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 1.08D-05 3.57D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 2.55D-07 5.69D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 3.13D-09 6.71D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 3.59D-11 6.88D-07.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 4.00D-13 5.63D-08.
     10 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 6.63D-15 7.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   280 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.26D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153464D+03 -0.968919D-02 -0.515867D-01
      2  -0.968919D-02  0.152324D+03  0.375610D-03
      3  -0.515867D-01  0.375610D-03  0.124393D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.181128D+00  0.151818D+00  0.154199D+01
      2   0.667211D-01  0.359325D+01 -0.327500D-01
      3   0.203334D+01 -0.819144D-01 -0.576673D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.620368D+01 -0.950912D+02 -0.164474D+00
      2   0.633589D+01  0.101271D+03  0.156539D+00
      3  -0.132213D+00 -0.617952D+01  0.793528D-02
      4  -0.929940D+02  0.636047D+01 -0.472620D+01
      5  -0.163295D+00  0.868832D+00 -0.240778D+00
      6  -0.869540D+01  0.134465D+00 -0.938765D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.732526D+01  0.558878D+00  0.373581D+01 -0.114313D+01 -0.297347D+01
      2   0.558878D+00 -0.262975D+01 -0.152389D+00 -0.297347D+01  0.850023D+00
      3   0.373581D+01 -0.152389D+00  0.448224D+00 -0.885379D+00  0.226871D+01
                 6             7             8             9            10 
      1  -0.885379D+00  0.334671D+01 -0.224437D+00  0.663222D+00 -0.141592D+01
      2   0.226871D+01 -0.224437D+00  0.173097D+01  0.119698D+01  0.551116D+00
      3   0.111793D+01  0.663222D+00  0.119698D+01 -0.719738D+00 -0.227849D+01
                11            12            13            14            15 
      1   0.551116D+00 -0.227849D+01  0.183717D+01  0.533002D+01 -0.748614D+00
      2   0.405759D+01  0.176713D-01  0.533002D+01  0.258706D+01 -0.360092D+01
      3   0.176713D-01  0.909316D+00 -0.748614D+00 -0.360092D+01 -0.328458D+00
                16            17            18            19            20 
      1  -0.201591D+01 -0.577028D+00  0.115698D+01 -0.182241D+01 -0.358797D+01
      2  -0.577028D+00 -0.300117D+01 -0.187194D+00 -0.358797D+01 -0.619972D+01
      3   0.115698D+01 -0.187194D+00  0.825724D+00  0.330449D+01  0.238977D+01
                21            22            23            24            25 
      1   0.330449D+01 -0.191024D+01 -0.424987D+01  0.140014D+01  0.211288D+01
      2   0.238977D+01 -0.424987D+01 -0.304793D+01  0.289241D+01  0.135438D+01
      3  -0.143287D+01  0.140014D+01  0.289241D+01 -0.176447D+01 -0.115893D+01
                26            27            28            29            30 
      1   0.135438D+01 -0.115893D+01  0.652127D-01  0.162559D+01 -0.559730D-02
      2   0.320466D+01 -0.189585D+01  0.162559D+01 -0.140008D+00 -0.161649D+01
      3  -0.189585D+01 -0.154797D+01 -0.559730D-02 -0.161649D+01 -0.732029D-02
                31            32            33            34            35 
      1   0.165397D+01 -0.118619D+00  0.185160D+01 -0.145195D-01 -0.596345D-01
      2  -0.118619D+00 -0.197208D+01 -0.303142D-02 -0.596345D-01 -0.915225D-03
      3   0.185160D+01 -0.303142D-02  0.186631D+00 -0.286828D-02  0.984366D-01
                36            37            38            39            40 
      1  -0.286828D-02  0.140575D+01 -0.319407D+01 -0.313320D+01 -0.159327D+01
      2   0.984366D-01 -0.319407D+01  0.634083D+01  0.239478D+01  0.430615D+01
      3  -0.462804D-02 -0.313320D+01  0.239478D+01  0.135184D+01  0.140037D+01
                41            42            43            44            45 
      1   0.430615D+01  0.140037D+01 -0.201040D+01  0.130196D+01  0.107223D+01
      2  -0.370144D+01 -0.305876D+01  0.130196D+01 -0.333554D+01 -0.193817D+01
      3  -0.305876D+01 -0.181782D+01  0.107223D+01 -0.193817D+01  0.154828D+01
                46            47            48            49            50 
      1   0.151255D+01  0.621874D-01  0.225578D+01  0.131428D+01 -0.528295D+01
      2   0.621874D-01 -0.391819D+01  0.764397D-01 -0.528295D+01  0.320503D+01
      3   0.225578D+01  0.764397D-01 -0.926716D+00 -0.687085D+00  0.363086D+01
                51            52            53            54            55 
      1  -0.687085D+00  0.199049D+01 -0.528668D+00 -0.117227D+01 -0.722685D+01
      2   0.363086D+01 -0.528668D+00  0.305406D+01 -0.155493D+00  0.109739D+01
      3  -0.293349D+00 -0.117227D+01 -0.155493D+00 -0.806403D+00 -0.374472D+01
                56            57            58            59            60 
      1   0.109739D+01 -0.374472D+01 -0.580709D+00  0.301064D+01 -0.819164D+00
      2   0.254508D+01 -0.724951D-01  0.301064D+01  0.464440D+00 -0.222676D+01
      3  -0.724951D-01 -0.400400D+00 -0.819164D+00 -0.222676D+01  0.114379D+01
                61            62            63            64            65 
      1  -0.334459D+01 -0.150510D+00 -0.594849D+00  0.953244D+01 -0.126146D+01
      2  -0.150510D+00 -0.170092D+01  0.122097D+01 -0.126146D+01 -0.131157D+01
      3  -0.594849D+00  0.122097D+01  0.718926D+00  0.491314D+01 -0.545556D+00
                66            67            68            69            70 
      1   0.491314D+01 -0.386397D+01 -0.873412D+00 -0.162623D+01  0.422263D+01
      2  -0.545556D+00 -0.873412D+00 -0.395378D+00  0.160406D+01 -0.152060D-01
      3   0.250026D+01 -0.162623D+01  0.160406D+01 -0.643880D+00  0.233852D+01
                71            72            73            74            75 
      1  -0.152060D-01  0.233852D+01 -0.975473D+01 -0.748680D+00 -0.499020D+01
      2   0.122846D+01 -0.211557D+00 -0.748680D+00  0.138118D+01 -0.399889D+00
      3  -0.211557D+00 -0.146453D+01 -0.499020D+01 -0.399889D+00 -0.251387D+01
                76            77            78            79            80 
      1  -0.337873D+01  0.104553D+01 -0.148421D+01 -0.421731D+01  0.109811D+00
      2   0.104553D+01 -0.529457D+00 -0.151606D+01  0.109811D+00 -0.122911D+01
      3  -0.148421D+01 -0.151606D+01 -0.535849D+00 -0.234956D+01 -0.118602D+00
                81            82            83            84            85 
      1  -0.234956D+01 -0.389128D+00  0.165175D+01  0.827797D+00  0.265038D+01
      2  -0.118602D+00  0.165175D+01  0.191319D+01 -0.132765D+01  0.423270D+01
      3   0.146854D+01  0.827797D+00 -0.132765D+01  0.148571D+01 -0.187974D+01
                86            87            88            89            90 
      1   0.423270D+01 -0.187974D+01  0.190187D+00 -0.128716D+01  0.220399D+01
      2   0.776535D+01 -0.513094D+01 -0.128716D+01 -0.357153D+01  0.110498D+01
      3  -0.513094D+01  0.139126D+01  0.220399D+01  0.110498D+01  0.474455D+00
                91            92            93            94            95 
      1  -0.109165D+01 -0.489329D+00 -0.247701D+01 -0.795989D+00 -0.170540D+01
      2  -0.489329D+00 -0.841845D+00  0.590739D+00 -0.170540D+01 -0.346262D+01
      3  -0.247701D+01  0.590739D+00 -0.158248D+01  0.480716D+00  0.435047D+01
                96            97            98            99           100 
      1   0.480716D+00 -0.312214D+01  0.110116D+01 -0.219724D+01  0.104878D+02
      2   0.435047D+01  0.110116D+01  0.604637D+01 -0.192326D+01 -0.194672D+01
      3  -0.986045D+00 -0.219724D+01 -0.192326D+01  0.125322D+00  0.305975D+01
               101           102           103           104           105 
      1  -0.194672D+01  0.305975D+01  0.831716D-01  0.109065D+01  0.300893D+00
      2   0.133962D+01 -0.444619D+00  0.109065D+01 -0.846258D+00  0.731113D+00
      3  -0.444619D+00  0.207732D+01  0.300893D+00  0.731113D+00 -0.219365D+00
               106           107           108           109           110 
      1   0.293699D+01 -0.510611D+00  0.244176D+01 -0.566885D+00 -0.803453D+00
      2  -0.510611D+00  0.634054D+00 -0.725380D+00 -0.803453D+00 -0.142421D+01
      3   0.244176D+01 -0.725380D+00  0.160934D+01  0.976141D+00  0.532032D+00
               111           112           113           114           115 
      1   0.976141D+00 -0.924499D+00 -0.253400D+00  0.159461D+00  0.117188D+01
      2   0.532032D+00 -0.253400D+00 -0.450885D+01  0.215208D+01 -0.209287D+00
      3  -0.850877D+00  0.159461D+00  0.215208D+01 -0.219754D+01  0.680670D-02
               116           117           118           119           120 
      1  -0.209287D+00  0.680670D-02  0.357059D+01 -0.245756D+01 -0.117457D+01
      2   0.192581D+01 -0.179778D+01 -0.245756D+01  0.257302D+01  0.564775D+00
      3  -0.179778D+01  0.225970D+01 -0.117457D+01  0.564775D+00  0.105574D+01
               121           122           123           124           125 
      1  -0.371350D+01  0.437174D+01  0.132336D+01 -0.141067D+01  0.116435D+01
      2   0.437174D+01 -0.685307D+01 -0.241796D+01  0.116435D+01 -0.197093D+01
      3   0.132336D+01 -0.241796D+01 -0.167135D+01  0.163265D+01 -0.173860D+01
               126           127           128           129           130 
      1   0.163265D+01  0.324021D+01  0.995946D+00 -0.164810D+01  0.215549D+01
      2  -0.173860D+01  0.995946D+00  0.115261D+01 -0.458947D+00  0.149910D+01
      3  -0.137299D+01 -0.164810D+01 -0.458947D+00  0.152728D+01 -0.841301D+00
               131           132           133           134           135 
      1   0.149910D+01 -0.841301D+00 -0.197337D+01 -0.160956D+00  0.154782D+01
      2   0.203335D+01 -0.143855D+01 -0.160956D+00 -0.119406D+01  0.810957D+00
      3  -0.143855D+01  0.168421D+01  0.154782D+01  0.810957D+00 -0.216053D+01
               136           137           138           139           140 
      1  -0.397248D+01 -0.261072D+01  0.126119D+01 -0.392713D+01 -0.438489D+01
      2  -0.261072D+01 -0.265646D+01  0.616055D+00 -0.438489D+01 -0.635257D+01
      3   0.126119D+01  0.616055D+00 -0.112348D+01  0.137341D+01  0.233906D+01
               141           142           143           144           145 
      1   0.137341D+01  0.150114D+01  0.117515D+01 -0.170543D+01 -0.305804D+01
      2   0.233906D+01  0.117515D+01  0.187033D+01 -0.166931D+01  0.100602D+01
      3  -0.162533D+01 -0.170543D+01 -0.166931D+01  0.137465D+01  0.157859D+01
               146           147           148           149           150 
      1   0.100602D+01  0.157859D+01  0.216622D+01 -0.154133D+01 -0.845540D+00
      2  -0.116135D+01 -0.470279D+00 -0.154133D+01  0.221100D+01  0.149082D+01
      3  -0.470279D+00 -0.145347D+01 -0.845540D+00  0.149082D+01  0.174944D+01
               151           152           153           154           155 
      1   0.194732D+01 -0.183426D+00 -0.150479D+01 -0.106864D+02 -0.160535D+01
      2  -0.183426D+00  0.120820D+01  0.869506D+00 -0.160535D+01 -0.121783D+01
      3  -0.150479D+01  0.869506D+00  0.214153D+01 -0.308597D+01 -0.344884D+00
               156           157           158           159           160 
      1  -0.308597D+01  0.434140D+00 -0.106906D+01  0.404143D+00 -0.297748D+01
      2  -0.344884D+00 -0.106906D+01 -0.710291D+00 -0.728310D+00 -0.403225D+00
      3  -0.209128D+01  0.404143D+00 -0.728310D+00 -0.126355D+00 -0.247897D+01
               161           162           163           164           165 
      1  -0.403225D+00 -0.247897D+01  0.443316D+00 -0.756559D+00 -0.943861D+00
      2  -0.590736D+00 -0.618895D+00 -0.756559D+00  0.133066D+01  0.498746D+00
      3  -0.618895D+00 -0.161217D+01 -0.943861D+00  0.498746D+00  0.769678D+00
               166           167           168           169           170 
      1  -0.931257D+00  0.136796D+00  0.110088D+00 -0.118627D+01 -0.235081D+00
      2   0.136796D+00 -0.458876D+01 -0.217724D+01 -0.235081D+00 -0.191864D+01
      3   0.110088D+00 -0.217724D+01 -0.223148D+01 -0.762910D-01 -0.179815D+01
               171           172           173           174           175 
      1  -0.762910D-01 -0.210537D+01  0.172361D+01  0.219746D+00  0.348663D+01
      2  -0.179815D+01  0.172361D+01 -0.221285D+01  0.420041D+00 -0.138467D+01
      3  -0.225231D+01  0.219746D+00  0.420041D+00 -0.364961D+00  0.136343D+01
               176           177           178           179           180 
      1  -0.138467D+01  0.136343D+01  0.180083D+01  0.517095D+00  0.353971D+00
      2   0.335398D+01 -0.156744D+00  0.517095D+00  0.167058D+00  0.712613D+00
      3  -0.156744D+00  0.117348D+01  0.353971D+00  0.712613D+00 -0.176510D+00
               181           182           183           184           185 
      1   0.172753D+01  0.408743D+00  0.391006D+00 -0.810416D-01 -0.657869D+00
      2   0.408743D+00 -0.593431D+00  0.697333D-01 -0.657869D+00  0.887145D-01
      3   0.391006D+00  0.697333D-01  0.816705D+00  0.405678D-01 -0.772773D+00
               186           187           188           189           190 
      1   0.405678D-01 -0.173567D+01 -0.207188D+00 -0.122480D+01  0.136696D+01
      2  -0.772773D+00 -0.207188D+00 -0.104564D+01  0.635110D+00 -0.147053D-01
      3   0.140576D+00 -0.122480D+01  0.635110D+00 -0.701425D+01 -0.655344D+00
               191           192           193           194           195 
      1  -0.147053D-01 -0.655344D+00 -0.183431D+01  0.984393D+00 -0.111880D+00
      2   0.213507D+01 -0.105119D+01  0.984393D+00 -0.570135D+01  0.798398D+00
      3  -0.105119D+01  0.722637D+00 -0.111880D+00  0.798398D+00 -0.100226D+01
               196           197           198           199           200 
      1  -0.983680D+00 -0.987068D+00  0.706768D+00 -0.319331D+00  0.320010D+00
      2  -0.987068D+00 -0.743314D+00 -0.154754D+00  0.320010D+00  0.784939D+00
      3   0.706768D+00 -0.154754D+00  0.289635D+00  0.398704D+00 -0.430092D+00
               201           202           203           204           205 
      1   0.398704D+00  0.691426D+00  0.124526D+01 -0.539712D+00  0.140160D+01
      2  -0.430092D+00  0.124526D+01  0.324356D+00  0.248356D-01  0.424862D+00
      3   0.349320D+00 -0.539712D+00  0.248356D-01  0.670916D+00 -0.274193D+00
               206           207           208           209           210 
      1   0.424862D+00 -0.274193D+00 -0.137929D+01 -0.986544D-01  0.602423D+00
      2   0.131680D+01 -0.129026D+01 -0.986544D-01 -0.236415D+01 -0.110801D+01
      3  -0.129026D+01  0.693416D+01  0.602423D+00 -0.110801D+01 -0.765167D+00
               211           212           213           214           215 
      1  -0.185760D+01 -0.114284D+01 -0.168556D+00  0.903830D+00 -0.995975D+00
      2  -0.114284D+01 -0.549869D+01 -0.738584D+00 -0.995975D+00  0.844336D+00
      3  -0.168556D+00 -0.738584D+00 -0.967679D+00 -0.717008D+00 -0.118992D+00
               216           217           218           219           220 
      1  -0.717008D+00  0.368439D+00  0.215131D+00 -0.442134D+00  0.563222D+00
      2  -0.118992D+00  0.215131D+00 -0.792704D+00 -0.412426D+00 -0.126875D+01
      3  -0.287008D+00 -0.442134D+00 -0.412426D+00 -0.321132D+00 -0.520634D+00
               221           222           223           224           225 
      1  -0.126875D+01 -0.520634D+00 -0.136653D+01  0.428617D+00  0.214907D+00
      2   0.470148D+00  0.173668D-01  0.428617D+00 -0.135860D+01 -0.130972D+01
      3   0.173668D-01  0.675727D+00  0.214907D+00 -0.130972D+01 -0.693070D+01
               226           227           228           229           230 
      1   0.238365D+01  0.178834D+01 -0.154645D+00  0.349128D+01  0.128547D+01
      2   0.178834D+01  0.219585D+01  0.439247D+00  0.128547D+01  0.320030D+01
      3  -0.154645D+00  0.439247D+00  0.405774D+00  0.137762D+01  0.630547D-01
               231           232           233           234           235 
      1   0.137762D+01 -0.174984D+01  0.589677D+00 -0.324509D+00 -0.167856D+01
      2   0.630547D-01  0.589677D+00 -0.226688D+00  0.729718D+00  0.536284D+00
      3   0.116048D+01 -0.324509D+00  0.729718D+00  0.171984D+00 -0.379629D+00
               236           237           238           239           240 
      1   0.536284D+00 -0.379629D+00  0.459635D-01  0.641487D+00  0.867197D-01
      2   0.554916D+00  0.119486D+00  0.641487D+00  0.724889D-02  0.765435D+00
      3   0.119486D+00 -0.809971D+00  0.867197D-01  0.765435D+00  0.177685D+00
               241           242           243           244           245 
      1   0.171492D+01 -0.237507D+00  0.124920D+01  0.103480D+01 -0.436382D+00
      2  -0.237507D+00  0.106568D+01  0.583357D+00 -0.436382D+00  0.739077D+00
      3   0.124920D+01  0.583357D+00  0.701155D+01  0.251628D+01  0.270301D+00
               246           247           248           249           250 
      1   0.251628D+01 -0.677448D+00  0.159781D+01  0.174399D+00  0.320595D+01
      2   0.270301D+00  0.159781D+01 -0.359598D+01 -0.437802D+01  0.687676D+00
      3   0.154774D+01  0.174399D+00 -0.437802D+01 -0.104032D+01  0.211344D+01
               251           252           253           254           255 
      1   0.687676D+00  0.211344D+01  0.624874D+00  0.135473D+01 -0.969613D+00
      2  -0.614772D+01 -0.203514D+01  0.135473D+01 -0.169751D+01 -0.104573D+01
      3  -0.203514D+01 -0.112667D+00 -0.969613D+00 -0.104573D+01 -0.141298D+01
               256           257           258           259           260 
      1   0.224010D+01 -0.404131D+01 -0.159613D+01 -0.316668D+00 -0.111033D+01
      2  -0.404131D+01  0.817322D+01  0.523474D+01 -0.111033D+01  0.366317D+01
      3  -0.159613D+01  0.523474D+01  0.143532D+01 -0.214911D+01  0.120443D+01
               261           262           263           264           265 
      1  -0.214911D+01  0.528620D+01  0.583863D+00 -0.247013D+01 -0.743084D-01
      2   0.120443D+01  0.583863D+00  0.230485D+01 -0.498964D+00  0.885365D-01
      3  -0.489582D+00 -0.247013D+01 -0.498964D+00  0.191902D+01  0.489663D+00
               266           267           268           269           270 
      1   0.885365D-01  0.489663D+00 -0.168326D+01  0.290274D+00  0.110099D+01
      2  -0.125626D+01  0.750893D+00  0.290274D+00  0.610585D+00 -0.949698D-01
      3   0.750893D+00 -0.410744D+00  0.110099D+01 -0.949698D-01 -0.173964D+01
               271           272           273           274           275 
      1  -0.479239D+00 -0.555176D+00 -0.716260D+00  0.921022D-01 -0.937431D+00
      2  -0.555176D+00 -0.236869D+01  0.110647D+01 -0.937431D+00 -0.282974D+00
      3  -0.716260D+00  0.110647D+01 -0.200430D+01  0.469643D+00 -0.963148D-01
               276           277           278           279           280 
      1   0.469643D+00 -0.103529D+01 -0.592022D-02 -0.567273D+00  0.420573D+01
      2  -0.963148D-01 -0.592022D-02 -0.140491D+01  0.117236D+01  0.115849D+01
      3   0.453187D+00 -0.567273D+00  0.117236D+01 -0.553213D+01  0.168370D+01
               281           282           283           284           285 
      1   0.115849D+01  0.168370D+01  0.531824D+00  0.124803D+01  0.110103D+00
      2   0.212616D+01  0.391700D+00  0.124803D+01  0.968163D+00  0.369336D+00
      3   0.391700D+00  0.149130D+01  0.110103D+00  0.369336D+00  0.278939D+00
               286           287           288           289           290 
      1   0.270621D+01  0.464051D+00  0.183516D+01  0.972929D+00  0.174722D+01
      2   0.464051D+00  0.935664D+00  0.958281D+00  0.174722D+01  0.123961D+01
      3   0.183516D+01  0.958281D+00  0.226907D+01 -0.397321D+00 -0.557860D+00
               291           292           293           294           295 
      1  -0.397321D+00  0.150067D+01  0.164268D+01 -0.609828D+00 -0.415772D+00
      2  -0.557860D+00  0.164268D+01  0.890001D+01 -0.292831D+01 -0.123113D+01
      3   0.498751D+00 -0.609828D+00 -0.292831D+01  0.200619D+01  0.101170D+01
               296           297           298           299           300 
      1  -0.123113D+01  0.101170D+01 -0.758423D+00  0.167199D+01  0.360009D+00
      2  -0.487521D+01  0.314562D+01  0.167199D+01 -0.996907D+00 -0.445390D+00
      3   0.314562D+01 -0.260530D+01  0.360009D+00 -0.445390D+00 -0.410408D+00
               301           302           303           304           305 
      1   0.140094D+01 -0.137940D+01 -0.494205D+00  0.316268D+00 -0.102662D+01
      2  -0.137940D+01  0.908397D+01  0.297259D+01 -0.102662D+01  0.499722D+01
      3  -0.494205D+00  0.297259D+01  0.202055D+01 -0.868909D+00  0.319119D+01
               306           307           308           309           310 
      1  -0.868909D+00 -0.408947D+01  0.120664D+01 -0.166755D+01  0.615743D+00
      2   0.319119D+01  0.120664D+01 -0.216098D+01  0.469392D+00 -0.126299D+01
      3   0.260275D+01 -0.166755D+01  0.469392D+00 -0.148524D+01  0.173967D+00
               311           312           313           314           315 
      1  -0.126299D+01  0.173967D+00 -0.266297D+01  0.554403D+00 -0.179472D+01
      2   0.118222D+01 -0.382158D+00  0.554403D+00 -0.961469D+00  0.104804D+01
      3  -0.382158D+00  0.344055D+00 -0.179472D+01  0.104804D+01 -0.227437D+01
               316           317           318           319           320 
      1  -0.520386D+01  0.725958D+00  0.245589D+01  0.174478D+00 -0.159578D+00
      2   0.725958D+00 -0.240578D+01 -0.649400D+00 -0.159578D+00 -0.110616D+01
      3   0.245589D+01 -0.649400D+00 -0.193419D+01  0.331560D+00 -0.742309D+00
               321           322           323           324           325 
      1   0.331560D+00  0.171151D+01  0.171364D+00 -0.111291D+01  0.443735D+00
      2  -0.742309D+00  0.171364D+00 -0.623475D+00 -0.364140D-01 -0.423097D+00
      3  -0.315482D+00 -0.111291D+01 -0.364140D-01  0.174708D+01  0.793884D+00
               326           327           328           329           330 
      1  -0.423097D+00  0.793884D+00  0.157926D+00  0.930223D+00  0.436353D+00
      2   0.237969D+01  0.106487D+01  0.930223D+00 -0.458460D+00  0.375098D-01
      3   0.106487D+01  0.201452D+01  0.436353D+00  0.375098D-01  0.367386D+00
               331           332           333 
      1   0.104097D+01  0.121369D-01  0.624514D+00
      2   0.121369D-01  0.139717D+01  0.113594D+01
      3   0.624514D+00  0.113594D+01  0.553076D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.711287D+00  0.257703D+01 -0.264274D+01  0.411007D+01  0.592436D+01
      2   0.490628D+00 -0.119214D+01  0.917914D+01 -0.210094D+01 -0.126371D+02
      3  -0.444545D+01 -0.108510D+02 -0.175183D+01 -0.792500D+01  0.510221D+01
                 6             7             8             9            10 
      1  -0.185146D+01 -0.104164D+01 -0.812498D-01 -0.206639D+01 -0.494250D+01
      2  -0.411919D+01  0.289055D+01 -0.171272D+00  0.167754D+01  0.115131D+02
      3   0.865347D+01 -0.369104D+00  0.969917D+01  0.434464D+01  0.600656D+01
                11            12            13            14            15 
      1   0.414859D+01  0.157521D+00  0.401438D+01 -0.116661D+01 -0.753454D+01
      2  -0.240230D+01  0.355252D+01 -0.427927D+01  0.231681D+00  0.605943D+01
      3   0.827542D+01  0.674407D+01  0.106920D+02 -0.575758D+01 -0.599868D+01
                16            17            18            19            20 
      1  -0.121937D+01 -0.197529D+01  0.345718D+00 -0.900432D+00 -0.381972D+00
      2   0.151494D+01  0.228446D+01 -0.220484D+01 -0.187165D+02 -0.129327D+02
      3   0.817855D+01 -0.586332D+01 -0.411483D+01 -0.231467D+02 -0.202440D+02
                21            22            23            24            25 
      1   0.794346D+01  0.905621D+01  0.261060D+02 -0.586439D+01  0.173215D+02
      2   0.399067D+01 -0.477813D+01  0.283102D+01 -0.490041D+01 -0.126899D+02
      3   0.972892D+01  0.555503D+01  0.234374D+02 -0.739311D+01  0.501657D+01
                26            27            28            29            30 
      1   0.217673D+02 -0.252740D+02 -0.322744D-01 -0.350112D+01  0.294706D-01
      2  -0.125367D+02  0.131168D+02 -0.358228D+01  0.154199D+00 -0.972214D+01
      3  -0.363833D+00 -0.158259D+01 -0.162940D+00  0.134025D+02 -0.470552D-01
                31            32            33            34            35 
      1  -0.141716D+01  0.851740D-01  0.112809D+02  0.344876D-01 -0.157982D+02
      2   0.867960D-01  0.564149D+00 -0.611544D-02  0.177825D+02 -0.123836D-01
      3  -0.170990D+02  0.194848D-01  0.109210D+01 -0.913670D-01  0.868121D+00
                36            37            38            39            40 
      1   0.875844D-01  0.355974D+00 -0.867330D+00 -0.791644D+01  0.813374D+01
      2  -0.147275D+00 -0.180161D+02  0.138761D+02  0.455989D+01  0.540687D+01
      3  -0.291755D-01  0.224818D+02 -0.222102D+02 -0.999884D+01  0.346078D+01
                41            42            43            44            45 
      1  -0.263246D+02 -0.525874D+01 -0.168163D+02  0.230981D+02  0.257982D+02
      2   0.306167D+01  0.490982D+01 -0.113875D+02  0.120689D+02  0.119715D+02
      3  -0.225978D+02 -0.688377D+01 -0.501120D+01 -0.120337D+00  0.155421D+01
                46            47            48            49            50 
      1   0.583955D+01  0.397365D+01 -0.342673D+00  0.400356D+01  0.828220D+00
      2   0.116092D+02  0.164601D+01  0.331571D+01  0.359585D+01 -0.548745D-01
      3  -0.515827D+01  0.864746D+01 -0.696116D+01  0.111827D+02  0.496498D+01
                51            52            53            54            55 
      1  -0.779506D+01  0.119303D+01 -0.218117D+01 -0.410790D+00 -0.398828D+00
      2  -0.587238D+01  0.139311D+01 -0.234113D+01 -0.212937D+01  0.661075D+00
      3  -0.571859D+01 -0.845982D+01 -0.549751D+01  0.420326D+01  0.365335D+01
                56            57            58            59            60 
      1   0.236465D+01  0.298157D+01  0.396087D+01 -0.680049D+01 -0.180465D+01
      2   0.608071D+00  0.921684D+01  0.141139D+01 -0.125100D+02  0.379853D+01
      3  -0.111272D+02  0.202540D+01 -0.835308D+01 -0.415123D+01  0.856515D+01
                61            62            63            64            65 
      1   0.116811D+01 -0.109728D+00  0.211303D+01 -0.364040D+01 -0.112425D+02
      2   0.288617D+01  0.383706D-01  0.158085D+01  0.263412D+02 -0.180063D+01
      3   0.779019D+00  0.960876D+01 -0.434607D+01  0.569186D+01  0.107601D+02
                66            67            68            69            70 
      1  -0.278175D+01 -0.228891D+02  0.385361D+01 -0.107052D+02 -0.849076D+00
      2   0.219573D+01  0.406780D+01  0.509496D+01  0.467250D+01 -0.319645D+02
      3   0.156812D+01  0.356169D+02 -0.445644D+01  0.123722D+02 -0.251881D+01
                71            72            73            74            75 
      1   0.124291D+01  0.113898D+01  0.318008D+01 -0.114790D+02  0.235311D+01
      2   0.382916D+01 -0.291188D+02  0.261799D+02  0.140030D+01  0.188486D+01
      3   0.530839D+01 -0.122114D+01 -0.350742D+01  0.111917D+02 -0.980665D+00
                76            77            78            79            80 
      1  -0.233536D+02 -0.213993D+01 -0.110262D+02 -0.497992D+00  0.108567D+01
      2  -0.396406D+01  0.533865D+01 -0.427522D+01 -0.320493D+02 -0.250859D+01
      3   0.359669D+02  0.244020D+01  0.124222D+02  0.277173D+01  0.519614D+01
                81            82            83            84            85 
      1  -0.240069D+01 -0.328011D+01  0.437341D+01  0.191064D+01  0.628933D+01
      2  -0.290389D+02 -0.176784D+02 -0.173856D+02  0.143771D+02 -0.588120D+01
      3   0.123828D+01 -0.221263D+02 -0.250849D+02  0.156942D+02 -0.600452D-01
                86            87            88            89            90 
      1   0.222795D+02  0.275370D+00  0.106746D+02  0.270730D+02 -0.167716D+02
      2   0.199199D+01 -0.605190D+01 -0.465196D+01 -0.180706D+02  0.144199D+02
      3   0.193842D+02 -0.493019D+01  0.708515D+01 -0.389342D+01  0.437106D+01
                91            92            93            94            95 
      1   0.932460D+01  0.337186D+01  0.621316D+01  0.413979D+01 -0.122752D+02
      2  -0.231868D+01  0.797420D+00 -0.526640D-01 -0.246217D+00  0.238785D+01
      3  -0.545999D+01 -0.132316D+01 -0.750801D+01  0.367871D+01 -0.100440D+01
                96            97            98            99           100 
      1  -0.433899D+01  0.451778D+01 -0.374064D+01  0.276584D+01  0.170454D+01
      2  -0.465447D+00 -0.335149D+01  0.497100D+00 -0.508500D+00 -0.280169D+01
      3  -0.675842D+01 -0.119441D+02 -0.786296D+01 -0.527424D+01 -0.934921D+01
               101           102           103           104           105 
      1   0.180521D+01  0.315201D+01 -0.309952D+00  0.116523D+01 -0.110975D+01
      2   0.144826D+01  0.493673D+01 -0.201277D+01  0.182648D+01 -0.149973D+01
      3  -0.370687D+01 -0.375920D+01 -0.741067D+00 -0.492598D+00 -0.170511D+01
               106           107           108           109           110 
      1   0.211777D+01  0.106606D+01  0.139456D+01  0.135292D+01 -0.140920D+01
      2   0.203089D+01 -0.532134D+00  0.256187D+01  0.520912D+01  0.228743D+01
      3  -0.155955D+01 -0.272418D+01 -0.112582D+01  0.546669D+01  0.561448D+01
               111           112           113           114           115 
      1  -0.191678D+01 -0.182926D+00 -0.143090D+01 -0.302924D+01 -0.287475D+00
      2  -0.350006D+01  0.139209D+01  0.667085D+01 -0.635976D+01 -0.315703D+01
      3  -0.354174D+01  0.461347D+01  0.131773D+02 -0.663701D+01 -0.179272D+01
               116           117           118           119           120 
      1   0.184861D-01  0.226466D+01 -0.687273D+00 -0.211827D+00  0.203505D+01
      2  -0.502161D+01  0.608751D+01 -0.120483D+01  0.938942D+00  0.372123D+01
      3  -0.536417D+01  0.570622D+01  0.655415D+00 -0.405675D+01 -0.221325D+00
               121           122           123           124           125 
      1  -0.238645D+01  0.262041D+01 -0.255753D+01  0.110633D+01 -0.226653D+00
      2  -0.244451D+01 -0.110988D+01 -0.382538D+01  0.750756D+00 -0.271404D+01
      3  -0.104178D+01  0.978903D+01  0.403440D+01  0.146959D+01  0.269327D+01
               126           127           128           129           130 
      1  -0.138331D+01 -0.422566D+01 -0.177159D+01  0.265234D+01 -0.293091D+01
      2  -0.209291D+01 -0.193892D+01  0.213452D+00  0.359721D+01  0.757058D+00
      3   0.115370D+01 -0.754784D+01 -0.631129D+01  0.420288D+01 -0.705225D+01
               131           132           133           134           135 
      1  -0.584603D+01  0.377208D+01  0.268311D+01  0.447244D+01 -0.427293D+01
      2  -0.340352D+01  0.551617D+01  0.130398D+01  0.272607D+01 -0.500236D+01
      3  -0.113729D+02  0.619984D+01  0.393489D+01  0.454952D+01 -0.577465D+01
               136           137           138           139           140 
      1   0.495013D+00 -0.423634D+00 -0.196901D+01 -0.242764D+01 -0.253355D+01
      2  -0.112886D+01 -0.896464D+00  0.396214D+01  0.255141D+01 -0.107869D+01
      3  -0.869208D+00 -0.446667D+01  0.385276D+00 -0.146161D+01 -0.954660D+01
               141           142           143           144           145 
      1  -0.229565D+01 -0.109996D+01 -0.813736D-01  0.128849D+01  0.390911D+01
      2   0.376454D+01  0.948902D+00  0.272977D+01 -0.215761D+01 -0.211704D+01
      3   0.404519D+01 -0.133210D+01  0.280702D+01 -0.117399D+01  0.692393D+01
               146           147           148           149           150 
      1  -0.172699D+01 -0.234549D+01 -0.285377D+01  0.592945D+01  0.361811D+01
      2  -0.154159D+00  0.348952D+01 -0.713869D+00 -0.363597D+01 -0.583434D+01
      3  -0.617062D+01 -0.394936D+01 -0.686212D+01  0.119477D+02  0.635858D+01
               151           152           153           154           155 
      1  -0.240973D+01  0.445294D+01  0.402086D+01 -0.177775D+01  0.177881D+01
      2   0.129655D+01 -0.297613D+01 -0.511012D+01 -0.269040D+01 -0.135086D+01
      3  -0.369714D+01  0.469619D+01  0.574976D+01  0.920280D+01 -0.406233D+01
               156           157           158           159           160 
      1  -0.299645D+01 -0.150200D+00 -0.110769D+01 -0.911229D+00 -0.201665D+01
      2   0.514747D+01  0.215222D+01  0.180615D+01  0.132678D+01  0.219863D+01
      3   0.372744D+01 -0.117621D+01  0.629275D+00 -0.187316D+01  0.148586D+01
               161           162           163           164           165 
      1   0.116811D+01 -0.128994D+01 -0.118144D+01 -0.139723D+01  0.165047D+01
      2   0.411853D+00  0.262983D+01  0.508187D+01 -0.222871D+01 -0.333549D+01
      3  -0.278290D+01  0.114418D+01 -0.501731D+01  0.537768D+01  0.331439D+01
               166           167           168           169           170 
      1  -0.122932D+00  0.178235D+01 -0.283675D+01  0.175461D+00  0.244614D+00
      2  -0.134218D+01  0.677313D+01  0.663219D+01 -0.296839D+01  0.516784D+01
      3   0.431251D+01 -0.136639D+02 -0.679828D+01  0.156746D+01 -0.549518D+01
               171           172           173           174           175 
      1  -0.197530D+01 -0.183507D+01  0.258240D+01 -0.161353D+00  0.499891D+01
      2   0.617135D+01 -0.929576D+00  0.170057D+01  0.218872D+01  0.621539D+01
      3  -0.574281D+01  0.248936D+01 -0.444895D+01  0.307129D+00 -0.496117D+01
               176           177           178           179           180 
      1  -0.707525D+01  0.596856D+00  0.231989D+01 -0.641455D+00 -0.998929D-02
      2  -0.161917D+01  0.597880D+00  0.395849D+01 -0.131385D+01  0.900879D+00
      3   0.999208D+01 -0.188279D+01 -0.191042D+01  0.226409D+01  0.482298D-01
               181           182           183           184           185 
      1  -0.211223D+01 -0.108910D+01 -0.110498D+01 -0.412347D+00 -0.544338D+00
      2  -0.214905D+01  0.432264D+00 -0.465645D+01 -0.794530D+00  0.208685D+01
      3   0.160572D+01  0.102145D+00  0.636224D+00  0.124961D+01  0.384443D+00
               186           187           188           189           190 
      1   0.565571D+00  0.831597D+00  0.259213D+01 -0.709405D+00  0.129374D+01
      2  -0.387530D+00  0.745852D+00 -0.209928D+01  0.158529D+02 -0.256747D+01
      3  -0.154461D+01 -0.104645D+01 -0.220583D+01  0.169043D+01 -0.248539D+01
               191           192           193           194           195 
      1   0.597769D+01 -0.157092D+01  0.124466D+01 -0.700781D+01 -0.107310D+01
      2   0.220561D+01  0.473456D-01  0.276291D+01 -0.336414D+01  0.142691D+01
      3   0.586988D+01 -0.222546D+01  0.573424D+01 -0.907081D+01  0.153394D+01
               196           197           198           199           200 
      1  -0.856989D+00 -0.412532D+01  0.206832D+00 -0.393224D+00 -0.246245D+01
      2  -0.541823D+00  0.322571D+00 -0.423050D+00 -0.153011D+01  0.771755D+00
      3   0.306898D+00 -0.244803D+01 -0.252205D+00 -0.126405D+01 -0.154988D+01
               201           202           203           204           205 
      1   0.196615D+01 -0.217843D+01 -0.130213D+01  0.394710D+01 -0.524742D+00
      2  -0.122387D+01 -0.235369D+00 -0.391187D+00 -0.111343D+01 -0.270061D+01
      3  -0.923781D+00 -0.312362D+00 -0.820406D+00  0.146123D+01 -0.245172D+01
               206           207           208           209           210 
      1  -0.116916D+01  0.128928D+02 -0.107078D+01  0.617142D+01  0.148576D+01
      2   0.145848D+01 -0.917219D+01 -0.256379D+01 -0.246001D+01 -0.605161D-01
      3   0.195577D+00 -0.138517D+01  0.281625D+01  0.607120D+01  0.224699D+01
               211           212           213           214           215 
      1   0.148369D+01  0.650822D+01 -0.122534D+01  0.638890D+00 -0.418807D+01
      2  -0.282854D+01 -0.341311D+01 -0.136500D+01 -0.566862D+00 -0.107461D+00
      3   0.598331D+01  0.853224D+01  0.141232D+01 -0.443169D+00 -0.244045D+01
               216           217           218           219           220 
      1  -0.231687D+00  0.119860D+00 -0.244561D+01 -0.183969D+01 -0.210238D+01
      2  -0.408954D+00 -0.155553D+01 -0.619650D+00 -0.110133D+01  0.376196D+00
      3   0.257697D+00  0.117496D+01 -0.154942D+01  0.100095D+01 -0.302623D+00
               221           222           223           224           225 
      1   0.146702D+01  0.404927D+01  0.356924D+00 -0.127732D+01 -0.132762D+02
      2  -0.434325D+00  0.973166D+00 -0.278121D+01 -0.129754D+01 -0.859586D+01
      3   0.871560D+00  0.140505D+01  0.246387D+01  0.905376D-01  0.139853D+01
               226           227           228           229           230 
      1   0.213235D+01  0.268561D+01  0.289095D+00  0.490049D+01  0.682489D+01
      2  -0.134662D+01 -0.184707D+01  0.215195D+01 -0.640280D+01 -0.159165D+01
      3  -0.293845D+01 -0.471785D+01 -0.399115D+00 -0.522156D+01 -0.976441D+01
               231           232           233           234           235 
      1   0.505072D+00 -0.216078D+01 -0.516574D+00  0.608056D-01  0.197393D+01
      2  -0.721342D+00  0.409825D+01  0.116013D+01  0.896406D+00 -0.222794D+01
      3  -0.180680D+01  0.199424D+01  0.221316D+01 -0.585213D-01 -0.156895D+01
               236           237           238           239           240 
      1  -0.116313D+01  0.926471D+00 -0.434909D+00  0.697001D+00  0.545548D+00
      2  -0.209503D+00 -0.468924D+01  0.982232D+00  0.203787D+01  0.564231D+00
      3   0.161492D+00 -0.716340D+00  0.129132D+01 -0.448664D+00 -0.151215D+01
               241           242           243           244           245 
      1  -0.687041D+00  0.270683D+01  0.139172D+01 -0.906031D+01  0.438642D+01
      2   0.869454D+00  0.195537D+01  0.157998D+02 -0.194789D+01 -0.735070D+00
      3   0.951981D+00 -0.224718D+01 -0.168850D+01  0.558904D+01 -0.151999D+01
               246           247           248           249           250 
      1  -0.642868D+01  0.511525D+01  0.118777D+02 -0.411217D+01 -0.482754D+01
      2   0.247707D+00  0.230389D+00  0.188254D+01  0.618178D+00 -0.317126D+01
      3   0.718214D+01  0.355867D+01  0.954822D+00 -0.710894D+01  0.115860D+02
               251           252           253           254           255 
      1  -0.357051D+01 -0.285902D+01  0.297600D+01  0.401182D+01 -0.124795D+01
      2  -0.192417D+00 -0.412815D+00 -0.167006D+02  0.180064D+02  0.146469D+02
      3  -0.847078D+01  0.526704D+01  0.208569D+02 -0.268714D+02 -0.158613D+02
               256           257           258           259           260 
      1   0.541225D+01 -0.226183D+02  0.607165D+00 -0.960309D+01  0.282405D+02
      2   0.645434D+01  0.195590D+01  0.540195D+01 -0.339584D+01  0.169687D+02
      3  -0.186617D+01 -0.182697D+02 -0.421185D+01 -0.724473D+01 -0.359259D+01
               261           262           263           264           265 
      1   0.173574D+02  0.525845D+01 -0.249884D+01 -0.401409D+01 -0.186547D+01
      2   0.136119D+02  0.729522D+01  0.961908D+00 -0.162432D+01 -0.300590D+01
      3  -0.433857D+01  0.125577D+02 -0.199353D+01 -0.577476D+01 -0.405809D+01
               266           267           268           269           270 
      1   0.222188D+01  0.184266D+00 -0.307466D+01  0.168828D+01  0.243902D+01
      2  -0.184971D+01  0.116939D+01 -0.608121D+00  0.210844D+00  0.577183D+00
      3   0.416773D+00  0.246483D+01 -0.202739D+01  0.381271D+00  0.300418D+01
               271           272           273           274           275 
      1   0.618742D+00 -0.533186D+00  0.448192D+01 -0.998502D+00 -0.348509D+00
      2  -0.674332D+00  0.442037D+01 -0.553942D+01  0.191698D+01  0.192244D+01
      3  -0.138398D+00  0.325722D+01 -0.358024D+01  0.240576D+01  0.189239D+01
               276           277           278           279           280 
      1  -0.901169D-01  0.758225D+00  0.339890D+00  0.908714D+01 -0.684852D+01
      2  -0.860851D+00 -0.256301D+01  0.218220D+01 -0.784300D+01  0.258160D+01
      3  -0.277414D+00 -0.118962D+01  0.214200D+01 -0.238716D+01  0.141177D+02
               281           282           283           284           285 
      1  -0.116152D+01 -0.550856D+01 -0.376142D+00 -0.127504D+01 -0.910651D+00
      2   0.539435D+00  0.359441D+01  0.122963D+00  0.715207D+00  0.257815D-01
      3  -0.979664D+00  0.601877D+01 -0.125466D+00  0.451147D+01 -0.425457D+00
               286           287           288           289           290 
      1  -0.657477D+01 -0.103442D+01 -0.894032D+01 -0.410919D-02  0.207701D+00
      2   0.139742D+01  0.137920D+01  0.344885D+01  0.257826D+00  0.408564D+00
      3   0.977990D+01 -0.567379D+00  0.527206D+01  0.179534D+01  0.344125D+01
               291           292           293           294           295 
      1  -0.162670D+01  0.204206D+01  0.466280D+01 -0.730499D+01 -0.155163D+01
      2   0.775847D+00  0.247093D+00 -0.168860D+01  0.166372D+01 -0.846111D+00
      3  -0.924067D+00  0.525840D+01 -0.222233D+01 -0.935410D-01 -0.900739D+00
               296           297           298           299           300 
      1  -0.234894D+01  0.703242D+01  0.602067D-01 -0.366009D-01  0.133538D+01
      2   0.158906D+01 -0.179125D+01  0.221902D+00 -0.505797D+00  0.630836D+00
      3   0.347586D+01  0.253059D+00 -0.142002D+01  0.362066D+01  0.966417D+00
               301           302           303           304           305 
      1   0.180354D+01 -0.478143D+01 -0.739662D+01  0.139346D+01 -0.244979D+01
      2  -0.410712D+00 -0.143625D+01 -0.136489D+01 -0.984339D+00 -0.144450D+01
      3   0.540825D+01  0.185739D+01 -0.123450D+00  0.106239D+01  0.348669D+01
               306           307           308           309           310 
      1  -0.707831D+01  0.688671D+01 -0.155006D+01  0.563120D+01 -0.697768D+00
      2  -0.147821D+01  0.225095D+01 -0.581780D+00  0.336158D+01 -0.172733D+00
      3  -0.233892D+00 -0.141530D+02 -0.432079D+00 -0.601583D+01  0.404122D+00
               311           312           313           314           315 
      1   0.128214D+01 -0.118342D+01  0.657269D+01 -0.146154D+01  0.910009D+01
      2   0.681173D+00 -0.114666D+00  0.105276D+01 -0.137538D+01  0.306834D+01
      3  -0.440016D+01 -0.866978D-01 -0.977367D+01 -0.248004D-01 -0.526846D+01
               316           317           318           319           320 
      1  -0.507065D+01 -0.238135D+01  0.392372D+01 -0.155142D+01 -0.206450D+01
      2   0.757331D+01 -0.125866D+01 -0.181998D+01  0.264419D+01 -0.182650D+01
      3  -0.126967D+02 -0.138882D+01  0.583275D+01 -0.339861D+01 -0.104500D+00
               321           322           323           324           325 
      1  -0.748804D-01  0.310064D+01  0.151801D+01 -0.241946D+01 -0.731497D+00
      2  -0.106536D+01 -0.775320D+00 -0.212259D+00  0.694425D+00 -0.904499D+00
      3   0.214549D+01  0.204308D+01  0.233545D+00 -0.302849D+01  0.375221D+00
               326           327           328           329           330 
      1  -0.682013D+00 -0.470424D+01 -0.104269D+01  0.526738D+00  0.173027D+00
      2  -0.425632D+01 -0.527627D+01 -0.176039D+01  0.218411D+01  0.108178D+01
      3   0.315774D+01  0.355688D+01  0.231393D+01 -0.216583D+01 -0.431723D+00
               331           332           333 
      1  -0.870072D+00  0.317834D+00 -0.941563D+01
      2  -0.263310D+01 -0.204741D+01 -0.739607D+01
      3   0.128662D+01  0.205557D+01  0.236977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.413786D+02 -0.695563D+01 -0.237269D+02 -0.217442D+01  0.191421D+02
      2   0.266830D+02  0.899156D+01  0.136329D+02  0.567437D+01 -0.104744D+02
      3   0.146956D+02 -0.203593D+01  0.100940D+02 -0.349995D+01 -0.866773D+01
      4  -0.145802D+02  0.961200D+01 -0.718057D+01  0.118461D+02  0.509048D+01
      5  -0.264365D+02 -0.117690D+01 -0.566898D+01  0.439072D+01 -0.846382D+01
      6  -0.698907D+01  0.619184D+01  0.535464D+00  0.438262D+01 -0.996132D+01
                 6             7             8             9            10 
      1   0.859170D+01 -0.200878D+02  0.588029D+01 -0.425445D+00  0.102983D+02
      2  -0.103887D+02  0.118519D+02 -0.793800D+01 -0.354423D+01 -0.691146D+01
      3   0.179699D+01  0.823595D+01  0.205772D+01  0.396968D+01 -0.338684D+01
      4  -0.806208D+01 -0.495488D+01 -0.682712D+01 -0.422862D+01  0.315381D+00
      5  -0.487945D+01 -0.685641D+01 -0.391803D+01  0.461504D+01  0.108753D+02
      6  -0.100826D+02  0.225182D+00 -0.770635D+01  0.760154D+00  0.776144D+01
                11            12            13            14            15 
      1   0.368985D+01  0.130381D+02  0.233205D+01 -0.164003D+02 -0.395314D+01
      2  -0.120624D+02 -0.533677D+01 -0.127882D+02  0.357636D+01  0.109902D+02
      3   0.837260D+01 -0.770130D+01  0.104562D+02  0.128240D+02 -0.703703D+01
      4  -0.218912D+02  0.619829D+01 -0.273102D+02 -0.234352D+02  0.187751D+02
      5  -0.488800D+00 -0.940016D+01  0.107614D+01  0.217719D+02  0.415762D+01
      6   0.477696D+01 -0.104929D+01  0.103713D+02  0.124083D+02 -0.360068D+01
                16            17            18            19            20 
      1   0.995157D+01 -0.421011D+01 -0.545563D+01 -0.371931D+00  0.159283D+01
      2  -0.333735D+01  0.979443D+01  0.248564D+01 -0.385947D+01  0.301823D+01
      3  -0.661422D+01 -0.558431D+01  0.296998D+01  0.423140D+01 -0.461106D+01
      4   0.582269D+01  0.152942D+02  0.765076D+00  0.481388D+01  0.134419D+02
      5  -0.808805D+01  0.241781D+01 -0.415486D+01 -0.336686D+01 -0.230354D+01
      6  -0.190940D+01 -0.454380D+01 -0.385893D+01 -0.793977D+01 -0.659003D+01
                21            22            23            24            25 
      1  -0.639120D+01 -0.169948D+01  0.131469D+02 -0.198857D-01 -0.152589D+01
      2   0.434394D+01  0.447818D+01 -0.161026D+02  0.199068D+01  0.182932D+01
      3   0.204725D+01 -0.277870D+01  0.295574D+01 -0.197079D+01 -0.303431D+00
      4  -0.858495D+01  0.897361D+01  0.865015D+01 -0.536607D+01 -0.522263D+01
      5   0.590168D+01 -0.101825D+01 -0.719078D+01  0.268913D+01  0.555981D+01
      6   0.247972D+01 -0.708374D+01 -0.132241D+01  0.650212D+01  0.107692D+01
                26            27            28            29            30 
      1  -0.129255D+01  0.950014D+01 -0.117616D+02  0.772269D-01  0.479917D+01
      2   0.131234D+01  0.445794D+01  0.340928D+01 -0.282401D-01 -0.578999D+01
      3  -0.197818D-01 -0.139581D+02  0.835229D+01 -0.489868D-01  0.990815D+00
      4  -0.273972D+01  0.170915D+01  0.137164D+00 -0.693634D+01 -0.388121D+00
      5   0.541272D+00  0.522175D+01  0.302994D+01 -0.265661D+00 -0.411846D+01
      6   0.446106D+01  0.493999D+01 -0.239328D+00 -0.336201D+01  0.191084D-01
                31            32            33            34            35 
      1   0.183206D-01  0.381323D+01 -0.371543D+00  0.776189D+01 -0.544233D+00
      2   0.864342D-03 -0.111733D+02  0.412352D+00 -0.853656D+01  0.557405D+00
      3  -0.191849D-01  0.736009D+01 -0.408089D-01  0.774670D+00 -0.131715D-01
      4  -0.817419D+01 -0.414874D-01 -0.626432D+01 -0.512248D+00 -0.845358D+01
      5  -0.176880D+00 -0.367462D+01 -0.765290D-02  0.319502D+01 -0.129032D-01
      6  -0.336363D+01  0.257898D+00 -0.422018D+01 -0.738606D-02  0.226880D+01
                36            37            38            39            40 
      1   0.624972D+00 -0.623891D+00  0.130104D+00 -0.561040D+01  0.305578D+01
      2   0.643665D+00 -0.389863D+01 -0.465919D+01  0.350519D+01 -0.573720D+01
      3  -0.126864D+01  0.452252D+01  0.452909D+01  0.210521D+01  0.268143D+01
      4   0.917006D-02 -0.391032D+01  0.130834D+02  0.876310D+01  0.833042D+01
      5   0.970902D+00 -0.282806D+01  0.182630D+01  0.568057D+01  0.497031D+00
      6  -0.114515D-01  0.745906D+01 -0.691504D+01 -0.245183D+01 -0.732104D+01
                41            42            43            44            45 
      1   0.121436D+02 -0.217020D+00 -0.102826D+01  0.110033D+01  0.936083D+01
      2  -0.147906D+02 -0.162240D+01  0.133292D+01 -0.106266D+01  0.459549D+01
      3   0.264698D+01  0.183942D+01 -0.304660D+00 -0.376787D-01 -0.139563D+02
      4  -0.107570D+02 -0.579095D+01  0.527365D+01 -0.310613D+01 -0.191319D+01
      5  -0.720589D+01 -0.262338D+01  0.551306D+01 -0.570026D+00  0.498241D+01
      6   0.227429D+01  0.671354D+01 -0.111689D+01  0.453457D+01 -0.519287D+01
                46            47            48            49            50 
      1   0.968630D+01 -0.661328D+01  0.127225D+02 -0.566996D+01 -0.138514D+02
      2  -0.545344D+01  0.141039D+02 -0.534570D+01  0.154096D+02  0.289377D+00
      3  -0.423286D+01 -0.749062D+01 -0.737679D+01 -0.973959D+01  0.135620D+02
      4  -0.322602D+01 -0.196547D+02 -0.618963D+01 -0.253404D+02  0.260724D+02
      5   0.106047D+02  0.116996D+01 -0.955828D+01 -0.149901D+00  0.211884D+02
      6  -0.754120D+01  0.442512D+01  0.131296D+01  0.101512D+02 -0.139157D+02
                51            52            53            54            55 
      1   0.499872D+01  0.976365D+01  0.506229D+01 -0.558560D+01 -0.389811D+02
      2  -0.123783D+02 -0.335604D+01 -0.109563D+02  0.265019D+01  0.242939D+02
      3   0.737954D+01 -0.640761D+01  0.589398D+01  0.293542D+01  0.146873D+02
      4   0.183268D+02 -0.578803D+01  0.149086D+02 -0.487574D+00  0.180898D+02
      5  -0.394420D+01 -0.821105D+01 -0.235313D+01 -0.385140D+01 -0.259233D+02
      6  -0.347334D+01  0.207084D+01 -0.449084D+01  0.403301D+01  0.847089D+01
                56            57            58            59            60 
      1   0.100003D+02 -0.231436D+02  0.558494D+01  0.181005D+02 -0.825978D+01
      2  -0.110488D+02  0.132122D+02 -0.813701D+01 -0.917672D+01  0.104881D+02
      3   0.104848D+01  0.993141D+01  0.255206D+01 -0.892379D+01 -0.222835D+01
      4   0.774216D+01  0.841617D+01  0.104784D+02 -0.725109D+01 -0.759079D+01
      5   0.223408D+01 -0.541554D+01 -0.341604D+01 -0.794967D+01  0.471304D+01
      6   0.606128D+01 -0.685281D+00  0.465375D+01  0.982507D+01 -0.103010D+02
                61            62            63            64            65 
      1  -0.197661D+02 -0.552638D+01  0.340319D-01  0.109241D+02 -0.582333D+01
      2   0.116413D+02  0.794340D+01 -0.394660D+01 -0.106646D+02  0.550023D+01
      3   0.812474D+01 -0.241702D+01  0.391257D+01 -0.259574D+00  0.323105D+00
      4   0.603444D+01 -0.645832D+01  0.404310D+01 -0.173521D+02 -0.571054D+01
      5  -0.660680D+01  0.388432D+01  0.457433D+01  0.117714D+02 -0.487938D+01
      6  -0.283040D+00 -0.784958D+01 -0.963432D+00 -0.302067D+01 -0.466383D+01
                66            67            68            69            70 
      1   0.652061D+01 -0.953714D+01 -0.995202D+01 -0.289618D+01  0.405864D+01
      2  -0.707177D+01  0.709615D+01  0.244194D+01  0.120683D+01 -0.386624D+01
      3   0.551164D+00  0.244098D+01  0.751009D+01  0.168935D+01 -0.192402D+00
      4  -0.780114D+01 -0.990760D+00 -0.308153D+01  0.622594D+01 -0.443776D+01
      5   0.906392D+01 -0.517354D+01  0.191719D+01 -0.160108D+01  0.572896D+01
      6  -0.132051D+01 -0.290670D+01 -0.193963D+01  0.414191D+01 -0.977861D+00
                71            72            73            74            75 
      1  -0.148009D+01  0.806896D+01  0.129475D+02  0.434353D+01  0.732141D+01
      2   0.276116D+01  0.668614D+01 -0.125895D+02 -0.437157D+01 -0.776292D+01
      3  -0.128108D+01 -0.147551D+02 -0.358014D+00  0.280436D-01  0.441507D+00
      4   0.247274D+01 -0.407127D+01  0.159815D+02 -0.671888D+01  0.745878D+01
      5  -0.168030D+01 -0.694296D+01  0.123076D+02  0.425560D+01  0.916076D+01
      6   0.433927D+01  0.784677D+00  0.218870D+01 -0.487739D+01  0.110733D+01
                76            77            78            79            80 
      1   0.854155D+01 -0.102700D+02  0.313710D+01  0.456419D+01  0.151414D+01
      2  -0.640385D+01  0.269090D+01 -0.140875D+01 -0.441129D+01 -0.280796D+01
      3  -0.213770D+01  0.757911D+01 -0.172835D+01 -0.152894D+00  0.129382D+01
      4  -0.221155D+01  0.395683D+01  0.570425D+01  0.416422D+01  0.205595D+01
      5   0.464269D+01  0.158728D+01  0.139959D+01  0.590568D+01  0.166119D+01
      6  -0.313834D+01  0.221384D+01  0.403571D+01  0.944979D+00  0.423656D+01
                81            82            83            84            85 
      1   0.846975D+01 -0.617522D+01 -0.294254D+01  0.101916D+02 -0.549457D+01
      2   0.632706D+01  0.913300D+01  0.289094D+01 -0.320887D+01  0.880924D+01
      3  -0.147968D+02 -0.295778D+01  0.515946D-01 -0.698269D+01 -0.331467D+01
      4   0.403136D+01 -0.586277D+01  0.290454D+01  0.513084D+01  0.298825D+01
      5  -0.699160D+01  0.895693D+01 -0.162526D+01 -0.124091D+01 -0.159036D+01
      6  -0.496265D+00  0.529390D+01 -0.477182D+01  0.498867D+01 -0.335489D+01
                86            87            88            89            90 
      1  -0.160143D+02  0.873175D+01  0.749196D+01  0.528883D+01  0.271879D+01
      2   0.152131D+02 -0.161520D+02 -0.559274D+00 -0.926088D+01  0.416679D+01
      3   0.801162D+00  0.742023D+01 -0.693269D+01  0.397205D+01 -0.688558D+01
      4   0.452227D+01 -0.369561D+01  0.620582D+01 -0.330211D+01  0.321400D+01
      5  -0.761728D+01  0.194432D+01 -0.193685D+00  0.846044D+00 -0.229883D+01
      6  -0.128984D+02  0.602314D+01  0.420699D+01  0.299010D+01  0.590274D+01
                91            92            93            94            95 
      1  -0.222130D+01  0.315762D+01 -0.691532D+01  0.573940D+01  0.146179D+02
      2  -0.459341D-01 -0.534517D+01  0.449355D+01 -0.107927D+02 -0.193758D+02
      3   0.226723D+01  0.218754D+01  0.242177D+01  0.505326D+01  0.475788D+01
      4  -0.554600D+01 -0.380869D+01 -0.133230D+02 -0.482129D+01 -0.107203D+02
      5  -0.585084D+01 -0.101039D+01 -0.366775D+01 -0.942010D+00  0.673224D+01
      6  -0.136140D+02  0.375413D+01 -0.875500D+01  0.399775D+01  0.288945D+02
                96            97            98            99           100 
      1  -0.152102D+02 -0.962956D+01 -0.204663D+02  0.295085D+01  0.689908D+02
      2   0.286252D+02  0.745715D+01  0.328741D+02 -0.705034D+01 -0.374325D+02
      3  -0.134151D+02  0.217241D+01 -0.124078D+02  0.409949D+01 -0.315583D+02
      4   0.570645D+01 -0.152440D+02  0.863271D+01 -0.120373D+02 -0.301465D+02
      5  -0.943105D+00 -0.531709D+01 -0.406667D+01 -0.189727D+00  0.312805D+02
      6  -0.104392D+02 -0.120675D+02 -0.137881D+02  0.185368D+01 -0.914078D+01
               101           102           103           104           105 
      1  -0.907553D+01  0.186547D+02  0.172560D+01  0.576742D+01  0.229891D+01
      2   0.233375D+01 -0.127122D+02 -0.456658D+01 -0.178578D+01 -0.349543D+01
      3   0.674178D+01 -0.594242D+01  0.284097D+01 -0.398164D+01  0.119652D+01
      4   0.129599D+02 -0.834725D+01  0.107760D+02 -0.556096D+01  0.433118D+01
      5  -0.458718D+01  0.180477D+02  0.617166D+00  0.548765D+01 -0.611234D+00
      6   0.310791D+01 -0.614588D+01  0.292024D+01 -0.329096D+01  0.378950D+01
               106           107           108           109           110 
      1   0.146804D+02 -0.599307D+00  0.110142D+02 -0.298896D+01 -0.929770D+01
      2  -0.119511D+02 -0.674654D+00 -0.917654D+01  0.291887D+01  0.866175D+01
      3  -0.272934D+01  0.127396D+01 -0.183766D+01  0.700937D-01  0.635942D+00
      4  -0.792658D+01  0.443907D+01 -0.701617D+01 -0.277852D-01 -0.100019D+01
      5   0.207862D+02 -0.409553D+01  0.134275D+02  0.300988D+01 -0.661794D+00
      6  -0.705598D+01  0.449231D+01 -0.472204D+01 -0.516148D+01 -0.571333D+01
               111           112           113           114           115 
      1   0.879933D+01 -0.562058D+01 -0.193943D+02  0.102200D+02  0.578459D+01
      2  -0.473724D+01  0.372062D+01  0.244699D+02 -0.927171D+01 -0.258017D+01
      3  -0.406209D+01  0.189996D+01 -0.507567D+01 -0.948338D+00 -0.320441D+01
      4  -0.199953D+01  0.433476D+01 -0.145740D+02  0.689003D+01 -0.453195D+01
      5  -0.730315D+00 -0.181355D+01  0.709070D+01 -0.871201D+01  0.319636D+01
      6   0.514448D+01 -0.745839D+00 -0.182885D+02  0.144662D+02  0.459658D+00
               116           117           118           119           120 
      1   0.776359D+01 -0.100460D+02  0.147150D+02 -0.934461D+01 -0.514663D+01
      2  -0.596287D+01  0.478176D+01 -0.396282D+00 -0.320000D+01  0.129727D+01
      3  -0.180072D+01  0.526421D+01 -0.143188D+02  0.125446D+02  0.384936D+01
      4   0.695492D+01 -0.542038D+01 -0.243637D+02  0.231084D+02  0.764066D+01
      5  -0.674504D+01  0.800969D+01 -0.109933D+02  0.716962D+01  0.874023D+01
      6   0.131526D+02 -0.134356D+02  0.725607D+01 -0.574358D+01 -0.462293D+01
               121           122           123           124           125 
      1  -0.800970D+01 -0.754225D+00 -0.182946D+01 -0.359894D+01 -0.178456D+01
      2  -0.904885D+01  0.246533D+02  0.685487D+01  0.958409D+00  0.399500D+01
      3   0.170585D+02 -0.238991D+02 -0.502542D+01  0.264053D+01 -0.221043D+01
      4   0.323562D+02 -0.449945D+02 -0.151538D+02  0.880421D+01 -0.122078D+02
      5   0.987016D+01 -0.153959D+02 -0.101330D+02  0.115606D+02 -0.107410D+02
      6  -0.102728D+02  0.181591D+02  0.116160D+02 -0.795027D+01  0.122843D+02
               126           127           128           129           130 
      1   0.735550D+00  0.231048D+02  0.762500D+01 -0.989138D+01  0.157153D+02
      2   0.157118D+01 -0.165703D+02 -0.686871D+01  0.835369D+01 -0.134155D+02
      3  -0.230673D+01 -0.653445D+01 -0.756292D+00  0.153770D+01 -0.229975D+01
      4  -0.116608D+02  0.184252D+01  0.676748D+01 -0.418634D-01  0.703686D+01
      5  -0.882700D+01 -0.153671D+02 -0.399730D+01  0.125785D+02 -0.914019D+01
      6   0.855605D+01  0.911272D+00 -0.185978D+01 -0.193779D+01 -0.277630D+01
               131           132           133           134           135 
      1   0.927199D+01 -0.549869D+01 -0.959680D+01 -0.153592D+01  0.643280D+01
      2  -0.860006D+01  0.877132D+01  0.918206D+01  0.501592D+01 -0.109764D+02
      3  -0.671930D+00 -0.327263D+01  0.414742D+00 -0.348000D+01  0.454355D+01
      4   0.888258D+01 -0.731242D+01  0.164253D+01 -0.618630D+01  0.285677D+01
      5  -0.104161D+02  0.116392D+02  0.134708D+02  0.585462D+01 -0.151577D+02
      6  -0.175987D+01  0.505967D+00 -0.150476D+01  0.245298D+01  0.123677D+01
               136           137           138           139           140 
      1   0.178121D+02  0.107529D+02 -0.579154D+01  0.101790D+02  0.229666D+01
      2  -0.211736D+01  0.223173D+01  0.171589D+01  0.722026D+01  0.202721D+02
      3  -0.156947D+02 -0.129846D+02  0.407565D+01 -0.173992D+02 -0.225688D+02
      4   0.261689D+02  0.237529D+02 -0.801068D+01  0.331404D+02  0.434843D+02
      5  -0.121105D+02 -0.760727D+01  0.937144D+01 -0.104759D+02 -0.154240D+02
      6  -0.747536D+01 -0.589287D+01  0.471140D+01 -0.102773D+02 -0.168046D+02
               141           142           143           144           145 
      1   0.760400D+00 -0.427523D+01  0.962151D+00  0.173694D+01  0.218739D+02
      2  -0.561190D+01  0.159327D+01 -0.303923D+01  0.570199D+00 -0.154396D+02
      3   0.485150D+01  0.268197D+01  0.207708D+01 -0.230714D+01 -0.643435D+01
      4  -0.151664D+02 -0.903428D+01 -0.120190D+02  0.116763D+02 -0.284679D+01
      5   0.102376D+02  0.123545D+02  0.107510D+02 -0.920267D+01 -0.147346D+02
      6   0.109822D+02  0.793710D+01  0.114857D+02 -0.818086D+01 -0.464978D+00
               146           147           148           149           150 
      1  -0.756504D+01 -0.957855D+01 -0.156703D+02  0.942455D+01  0.524930D+01
      2   0.661944D+01  0.792831D+01  0.131082D+02 -0.854134D+01 -0.844137D+01
      3   0.945603D+00  0.165024D+01  0.256204D+01 -0.883202D+00  0.319208D+01
      4   0.719022D+01  0.540762D+00  0.798941D+01 -0.102020D+02 -0.793071D+01
      5   0.412280D+01  0.121196D+02  0.917480D+01 -0.108899D+02 -0.121249D+02
      6  -0.192511D+01  0.143380D+01 -0.305870D+01  0.239687D+01  0.935964D+00
               151           152           153           154           155 
      1  -0.958003D+01  0.136872D+01  0.613105D+01  0.720676D+02  0.744047D+01
      2   0.901683D+01 -0.483731D+01 -0.106246D+02 -0.399672D+02 -0.186441D+01
      3   0.563201D+00  0.346859D+01  0.449350D+01 -0.321004D+02 -0.557607D+01
      4  -0.113379D+01 -0.641778D+01 -0.357257D+01  0.265992D+02  0.115308D+02
      5   0.131951D+02 -0.627771D+01 -0.150758D+02  0.320232D+02  0.361404D+01
      6   0.104478D+01  0.267437D+01 -0.551061D+00  0.810947D+01  0.269364D+01
               156           157           158           159           160 
      1   0.193897D+02 -0.354496D+01  0.597157D+01 -0.277276D+01  0.153745D+02
      2  -0.133357D+02  0.523701D+01 -0.230728D+01  0.369603D+01 -0.125998D+02
      3  -0.605393D+01 -0.169205D+01 -0.366429D+01 -0.923267D+00 -0.277469D+01
      4   0.720560D+01  0.101740D+02  0.433394D+01  0.425424D+01  0.690578D+01
      5   0.184099D+02 -0.163254D+01  0.548636D+01 -0.314199D-01  0.212964D+02
      6   0.553575D+01  0.273624D+01  0.283343D+01  0.351288D+01  0.634654D+01
               161           162           163           164           165 
      1   0.290160D+00  0.116438D+02 -0.227111D+01  0.861684D+01  0.857848D+01
      2   0.842885D+00 -0.978610D+01  0.234398D+01 -0.778687D+01 -0.457689D+01
      3  -0.113304D+01 -0.185774D+01 -0.728699D-01 -0.829977D+00 -0.400159D+01
      4   0.409934D+01  0.613731D+01  0.458347D+00 -0.119951D+01  0.166572D+01
      5   0.336501D+01  0.136578D+02  0.334242D+01  0.536079D+00 -0.612455D+00
      6   0.403284D+01  0.414869D+01  0.474263D+01 -0.532164D+01 -0.458364D+01
               166           167           168           169           170 
      1   0.530025D+01 -0.187114D+02 -0.996563D+01  0.583990D+01 -0.747045D+01
      2  -0.319693D+01  0.236809D+02  0.884141D+01 -0.271737D+01  0.553603D+01
      3  -0.210331D+01 -0.496957D+01  0.112422D+01 -0.312253D+01  0.193442D+01
      4   0.460486D+01  0.162839D+02  0.761208D+01  0.444283D+01  0.735841D+01
      5   0.195952D+01  0.774150D+01  0.935546D+01  0.343899D+01  0.714156D+01
      6  -0.276204D+00  0.182198D+02  0.142809D+02 -0.880086D-01  0.129035D+02
               171           172           173           174           175 
      1  -0.959066D+01  0.118399D+02 -0.627578D+01 -0.509686D-01 -0.111135D+02
      2   0.433574D+01 -0.401222D+01  0.271992D+01 -0.326020D+00  0.611991D+01
      3   0.525491D+01 -0.782769D+01  0.355586D+01  0.376988D+00  0.499355D+01
      4   0.601743D+01 -0.106325D+02  0.111194D+02 -0.230157D+01  0.890371D+01
      5   0.852163D+01  0.287908D+01 -0.311653D+01  0.276396D+01 -0.813759D+01
      6   0.130620D+02 -0.274804D+01  0.370712D+01 -0.135363D+01  0.420140D+01
               176           177           178           179           180 
      1   0.457862D+01 -0.217478D+01 -0.599623D+01  0.906600D+00 -0.118105D+01
      2   0.698118D+00  0.365066D+01  0.321223D+01  0.931696D+00 -0.591579D+00
      3  -0.527674D+01 -0.147588D+01  0.278399D+01 -0.183830D+01  0.177263D+01
      4  -0.171743D+02  0.169395D+01 -0.223607D+01 -0.215188D+01 -0.380807D+01
      5   0.311271D+01 -0.560655D+01 -0.150530D+00 -0.313251D+01  0.516609D+00
      6  -0.660532D+01  0.195364D+01 -0.113276D+01  0.882809D+00 -0.169774D+01
               181           182           183           184           185 
      1  -0.387506D+01 -0.322089D+00  0.296231D+01  0.234704D+00 -0.109141D+01
      2   0.149603D+01 -0.332754D+00  0.189558D+01 -0.803395D-01 -0.190610D+01
      3   0.237904D+01  0.654843D+00 -0.485789D+01 -0.154364D+00  0.299751D+01
      4  -0.298203D+01  0.478256D+00 -0.622924D+00  0.312329D+01 -0.187777D+00
      5  -0.168402D+01 -0.475008D+00  0.420350D+00 -0.501783D+00  0.295936D+01
      6   0.127804D+00  0.752151D+00 -0.846917D-01  0.159151D+01 -0.283427D+00
               186           187           188           189           190 
      1   0.174989D-02  0.265535D+01  0.184565D+01 -0.166777D+02 -0.431503D+01
      2   0.753037D+00 -0.569882D+01  0.162937D+01 -0.185137D+02  0.602665D+01
      3  -0.754787D+00  0.304347D+01 -0.347501D+01  0.351913D+02 -0.171162D+01
      4   0.322578D+01  0.112428D+01  0.426440D+01 -0.347640D+01 -0.439022D+01
      5  -0.651537D+00  0.797038D+01 -0.218680D+01  0.224872D+02  0.279479D+01
      6   0.524252D+01  0.271632D+00  0.360090D+01  0.779013D+00  0.185468D+00
               191           192           193           194           195 
      1   0.617188D+01 -0.170347D+01  0.679640D+01 -0.195201D+02  0.419856D+01
      2  -0.782261D+01  0.959129D+00 -0.675780D+01  0.301795D+02 -0.329285D+01
      3   0.165073D+01  0.744343D+00 -0.385927D-01 -0.106594D+02 -0.905708D+00
      4   0.674604D+00  0.179328D+01  0.590795D+01  0.159367D+01 -0.333972D+00
      5  -0.442828D+00 -0.846124D+00 -0.290764D+01  0.191721D+01  0.888409D+00
      6   0.639882D+01 -0.307123D+01  0.180868D+01 -0.111922D+02  0.606166D+01
               196           197           198           199           200 
      1   0.152730D+01  0.102101D+01 -0.441899D+01 -0.378744D+00  0.136424D+01
      2  -0.131929D+01  0.229655D+01  0.242370D+01 -0.248518D+01 -0.100804D+01
      3  -0.208011D+00 -0.331756D+01  0.199529D+01  0.286393D+01 -0.356196D+00
      4   0.321885D+01  0.370773D+01 -0.170886D+01  0.126922D+00 -0.720708D+00
      5  -0.108179D+01 -0.208554D+00  0.772461D+00 -0.179506D+01  0.224006D+00
      6  -0.226946D+01  0.250064D+01 -0.177984D+01 -0.390221D+00  0.217569D+01
               201           202           203           204           205 
      1  -0.326951D+01 -0.124602D+01 -0.381829D+01  0.285975D+00 -0.303642D+01
      2   0.808427D+00  0.102745D+01  0.138147D+01 -0.428002D+01  0.253472D+01
      3   0.246108D+01  0.218574D+00  0.243681D+01  0.399404D+01  0.501697D+00
      4  -0.891882D+00 -0.216990D+01 -0.341069D+01  0.243216D+00 -0.382969D+01
      5   0.373830D+01  0.100711D+01  0.642864D+00 -0.221520D+01  0.416316D+01
      6  -0.184088D+01  0.201869D+01 -0.487841D+00  0.201276D+01  0.777968D+00
               206           207           208           209           210 
      1   0.459916D+01 -0.203207D+02 -0.466639D+01 -0.675594D+01 -0.203527D+01
      2  -0.595449D+00 -0.140888D+02  0.641258D+01  0.877478D+01  0.125291D+01
      3  -0.400371D+01  0.344095D+02 -0.174618D+01 -0.201884D+01  0.782368D+00
      4  -0.273614D+01 -0.535805D+00  0.492578D+01  0.107794D+01 -0.167414D+01
      5   0.288348D+01 -0.139553D+02  0.281597D+01  0.694118D+00 -0.751818D+00
      6   0.729459D+01 -0.181004D+02  0.729033D-01  0.683037D+01  0.336430D+01
               211           212           213           214           215 
      1  -0.693218D+01 -0.189467D+02 -0.408983D+01  0.120520D+01 -0.710799D+00
      2   0.727626D+01  0.295117D+02  0.321951D+01 -0.114456D+01 -0.262579D+01
      3  -0.344074D+00 -0.105650D+02  0.870316D+00 -0.606370D-01  0.333659D+01
      4   0.626142D+01  0.233961D+00  0.513973D-01 -0.319505D+01  0.379508D+01
      5   0.294939D+01  0.223026D+01 -0.593061D+00 -0.989627D+00  0.365670D+00
      6   0.214071D+01  0.106547D+02  0.593239D+01  0.243332D+01  0.235863D+01
               216           217           218           219           220 
      1  -0.425267D+01 -0.436055D+00 -0.155586D+01 -0.319476D+01  0.921852D+00
      2   0.225928D+01 -0.244473D+01  0.121764D+01  0.908739D+00 -0.682847D+00
      3   0.199339D+01  0.288078D+01  0.338224D+00  0.228602D+01 -0.239006D+00
      4   0.201641D+01 -0.326358D+00 -0.450590D+00  0.108891D+01 -0.208926D+01
      5   0.848853D+00 -0.180621D+01 -0.202006D-01  0.390742D+01 -0.802587D+00
      6   0.172495D+01  0.666979D+00  0.218125D+01  0.176676D+01  0.205225D+01
               221           222           223           224           225 
      1  -0.350306D+01 -0.141993D+00 -0.290468D+01 -0.473243D+01 -0.202644D+02
      2   0.107638D+01  0.419689D+01  0.221182D+01  0.723078D+00 -0.141030D+02
      3   0.242668D+01 -0.405489D+01  0.692868D+00  0.400935D+01  0.343674D+02
      4   0.375180D+01  0.405645D+00  0.395796D+01 -0.268026D+01  0.788345D+00
      5   0.712537D+00  0.210889D+01  0.400259D+01 -0.275416D+01 -0.131212D+02
      6   0.282404D+00  0.185630D+01 -0.633843D+00  0.747839D+01  0.187336D+02
               226           227           228           229           230 
      1   0.134332D+02  0.692415D+01  0.210257D+00  0.115146D+02  0.508236D+01
      2  -0.525317D+01 -0.349774D+01 -0.629513D+00 -0.669741D+01 -0.908909D-01
      3  -0.818007D+01 -0.342641D+01  0.419256D+00 -0.481717D+01 -0.499147D+01
      4   0.107512D+02  0.109430D+02  0.234742D+01  0.838810D+01  0.162182D+02
      5   0.342645D+01  0.328685D+01  0.301394D+01  0.830206D+01  0.282166D+01
      6   0.293864D+01  0.373655D+01  0.130036D+01  0.402671D+01  0.607717D+01
               231           232           233           234           235 
      1   0.234489D+01 -0.583104D+01 -0.810966D+00 -0.863940D+00 -0.359392D+01
      2  -0.383056D+01  0.298167D+01 -0.919405D+00 -0.886969D+00  0.122610D+01
      3   0.148567D+01  0.284938D+01  0.173037D+01  0.175091D+01  0.236782D+01
      4   0.132059D+01  0.253298D+01 -0.228696D+01  0.381496D+01  0.332802D+01
      5   0.557578D+01  0.281027D-01  0.317547D+01  0.565657D+00 -0.162112D+01
      6   0.168986D+01  0.115025D+01  0.723037D+00  0.167010D+01  0.277454D-01
               236           237           238           239           240 
      1   0.466979D+00  0.303441D+01  0.140017D+00 -0.109619D+01  0.126612D+00
      2   0.156571D+00  0.179559D+01 -0.320831D+00 -0.191847D+01 -0.111049D+01
      3  -0.623549D+00 -0.483001D+01  0.180814D+00  0.301466D+01  0.983882D+00
      4   0.338363D+00  0.696483D+00  0.299680D+01 -0.345148D-02  0.316054D+01
      5   0.710097D+00  0.459942D+00  0.759057D+00  0.290937D+01  0.857025D+00
      6   0.737593D+00  0.293238D+00  0.158066D+01  0.524950D-01  0.519773D+01
               241           242           243           244           245 
      1   0.246884D+01 -0.159143D+01 -0.163817D+02 -0.213312D+01 -0.267324D+01
      2  -0.565578D+01 -0.175701D+01 -0.188003D+02  0.153436D+00  0.478475D+01
      3   0.318694D+01  0.334844D+01  0.351819D+02  0.197968D+01 -0.211151D+01
      4  -0.130562D+01  0.432246D+01  0.338633D+01  0.542116D+01 -0.327482D+01
      5   0.803183D+01  0.199912D+01  0.224039D+02 -0.514763D+01  0.167183D+01
      6  -0.463667D+00  0.352608D+01 -0.174065D+01  0.141306D+02  0.169881D+01
               246           247           248           249           250 
      1  -0.499891D+01 -0.533056D+01  0.157498D+02  0.158277D+02 -0.729752D+01
      2   0.193077D+01  0.102426D+02 -0.206866D+02 -0.291148D+02  0.456551D+01
      3   0.306813D+01 -0.491202D+01  0.493683D+01  0.132870D+02  0.273201D+01
      4   0.139603D+02 -0.378343D+01  0.938989D+01  0.309100D+01  0.162269D+02
      5  -0.328144D+01  0.157746D+01  0.530715D+01  0.590625D+00 -0.464519D+01
      6   0.849909D+01  0.199638D+01 -0.293834D+02 -0.107521D+02  0.116677D+02
               251           252           253           254           255 
      1   0.215645D+02  0.399916D+01 -0.522002D+01  0.270675D+01  0.927863D+01
      2  -0.338918D+02 -0.815996D+01  0.807234D+01 -0.284621D+01 -0.200037D+01
      3   0.123273D+02  0.416080D+01 -0.285232D+01  0.139469D+00 -0.727826D+01
      4   0.554127D+01  0.115599D+02  0.675842D+01  0.225925D+01 -0.585984D+01
      5   0.368647D+01 -0.303506D+00  0.881247D+01  0.675063D+00 -0.155355D+01
      6  -0.145857D+02 -0.176725D+01 -0.607713D+01 -0.398159D+01 -0.459957D+01
               256           257           258           259           260 
      1   0.525617D+01 -0.166564D+02 -0.938494D+01  0.670564D+01 -0.584012D+01
      2  -0.872093D+01  0.160475D+02  0.164918D+02  0.411240D+00  0.945638D+01
      3   0.346476D+01  0.608890D+00 -0.710690D+01 -0.711688D+01 -0.361626D+01
      4   0.191274D+01 -0.325480D+01 -0.232359D+01 -0.670086D+01 -0.231887D+01
      5   0.671885D+00 -0.711735D+01 -0.156431D+01 -0.473116D+00 -0.669443D+00
      6  -0.256158D+01  0.134165D+02  0.624844D+01 -0.403580D+01  0.322797D+01
               261           262           263           264           265 
      1   0.241937D+01  0.171522D+02 -0.294680D+01 -0.537468D+01 -0.374063D+00
      2   0.450775D+01 -0.151048D+02  0.591499D+01  0.765859D+01  0.215706D+01
      3  -0.692711D+01 -0.204738D+01 -0.296819D+01 -0.228391D+01 -0.178299D+01
      4  -0.310898D+01  0.146910D+02  0.580028D+01 -0.687034D+01  0.124325D+01
      5  -0.253022D+01 -0.172959D+02 -0.232585D+01  0.106524D+02  0.239761D+01
      6  -0.586059D+01 -0.693376D+01 -0.342640D+01  0.615021D+01 -0.405860D-01
               266           267           268           269           270 
      1   0.456947D+01 -0.709649D+00 -0.360884D+01 -0.895321D+00  0.148086D+01
      2  -0.320840D+01 -0.153007D+00  0.682519D+01  0.200795D+01 -0.720219D+01
      3  -0.136107D+01  0.862656D+00 -0.321635D+01 -0.111263D+01  0.572133D+01
      4   0.130303D+00  0.462793D+00 -0.279143D+01  0.539195D-01  0.297763D+01
      5  -0.150735D+00 -0.125335D+01  0.787687D+01 -0.109605D+00 -0.714597D+01
      6   0.184400D+01 -0.338217D+00  0.319822D+01  0.105526D+01 -0.469505D+01
               271           272           273           274           275 
      1  -0.312690D+00  0.616960D+01 -0.731669D+01  0.181771D+01 -0.169269D+01
      2  -0.430500D+01 -0.628871D+01 -0.167874D+01 -0.190867D+01 -0.566979D+00
      3   0.461769D+01  0.119106D+00  0.899543D+01  0.909648D-01  0.225967D+01
      4  -0.365736D+01 -0.101434D+01 -0.329170D+01 -0.781378D-01 -0.211083D+01
      5   0.176077D+01  0.346512D+00  0.328265D+01 -0.440799D-01  0.232963D+01
      6  -0.257421D+01  0.552376D+01 -0.843046D+01  0.253452D+01 -0.229744D+01
               276           277           278           279           280 
      1   0.146794D+01 -0.261044D+01  0.586921D+01 -0.148395D+02  0.125498D+02
      2  -0.538794D+00 -0.102014D+01 -0.211381D+01 -0.123186D+02 -0.292090D+01
      3  -0.929146D+00  0.363058D+01 -0.375541D+01  0.271581D+02 -0.962892D+01
      4   0.134618D+01 -0.330967D+01 -0.772357D+00 -0.295422D+01  0.253080D+02
      5  -0.103388D+01  0.386792D+01  0.250938D+00 -0.137593D+01  0.767381D+01
      6   0.497045D+01 -0.182323D+01  0.734090D+01 -0.199085D+02  0.991302D+01
               281           282           283           284           285 
      1  -0.252850D+01  0.461502D+01 -0.337864D+01 -0.147290D+01 -0.912490D+00
      2   0.102581D+02 -0.146731D+01  0.758239D+01  0.589991D+01  0.131119D+01
      3  -0.772959D+01 -0.314771D+01 -0.420375D+01 -0.442701D+01 -0.398704D+00
      4   0.120172D+02  0.979484D+01  0.659071D+01  0.911104D+01  0.199863D+01
      5   0.162416D+01  0.647074D+01  0.652505D+00  0.187192D+01  0.768228D+00
      6   0.295961D+01  0.861966D+01  0.123860D+01  0.194843D+01  0.360248D+01
               286           287           288           289           290 
      1   0.528199D+01 -0.108527D+01  0.663159D+00 -0.335524D+01 -0.875990D+00
      2  -0.238195D+01  0.455479D+01  0.480789D+00  0.857928D+01  0.587579D+01
      3  -0.290004D+01 -0.346952D+01 -0.114395D+01 -0.522404D+01 -0.499980D+01
      4   0.157325D+02  0.608783D+01  0.107224D+02  0.786731D+01  0.154928D+02
      5   0.800469D+01  0.310520D+01  0.787509D+01 -0.149267D+01 -0.341330D+01
      6   0.111307D+02  0.806911D+01  0.136108D+02 -0.459848D+01 -0.433211D+01
               291           292           293           294           295 
      1   0.104585D+01 -0.428157D+01 -0.354009D+02  0.128781D+02  0.384239D+01
      2  -0.232113D+01  0.105782D+02  0.629061D+02 -0.201839D+02 -0.566853D+01
      3   0.127528D+01 -0.629665D+01 -0.275052D+02  0.730585D+01  0.182615D+01
      4  -0.476531D+01  0.122916D+02  0.192909D+02 -0.745854D+01 -0.547766D+01
      5   0.375865D+01 -0.198275D+01 -0.472177D+01  0.312573D+01  0.416595D+01
      6   0.357573D+01 -0.606763D+01 -0.292718D+02  0.183089D+02  0.742571D+01
               296           297           298           299           300 
      1   0.192517D+02 -0.131389D+02 -0.377788D+01  0.775885D+00  0.857874D+00
      2  -0.276676D+02  0.156382D+02  0.854536D+01 -0.477646D+01 -0.182475D+01
      3   0.841591D+01 -0.249926D+01 -0.476748D+01  0.400058D+01  0.966877D+00
      4  -0.104792D+02  0.831260D+01 -0.615742D+01  0.147722D+02  0.439311D+01
      5   0.521958D+01 -0.459369D+01 -0.109317D+01  0.312841D+01  0.350045D+01
      6   0.265831D+02 -0.215459D+02  0.430212D+01 -0.338459D+01 -0.292921D+01
               301           302           303           304           305 
      1   0.385683D+01 -0.371869D+02 -0.135014D+02  0.339787D+01 -0.203396D+02
      2  -0.912859D+01  0.651396D+02  0.208539D+02 -0.484613D+01  0.288817D+02
      3   0.527176D+01 -0.279527D+02 -0.735248D+01  0.144826D+01 -0.854214D+01
      4   0.111667D+02 -0.160050D+02 -0.614294D+01  0.466056D+01 -0.858683D+01
      5   0.161130D+01 -0.362549D+01 -0.246170D+01  0.364902D+01 -0.420680D+01
      6  -0.501285D+01  0.298584D+02  0.185247D+02 -0.638915D+01  0.271425D+02
               306           307           308           309           310 
      1  -0.138255D+02  0.105886D+02  0.288271D+01  0.375544D+01  0.330253D+01
      2   0.163390D+02 -0.145077D+01 -0.108076D+02 -0.564168D+00 -0.769554D+01
      3  -0.251352D+01 -0.913780D+01  0.792493D+01 -0.319127D+01  0.439301D+01
      4  -0.699341D+01 -0.252002D+02  0.121228D+02 -0.100245D+02  0.681828D+01
      5  -0.363225D+01  0.715963D+01 -0.180253D+01  0.606713D+01 -0.865503D+00
      6   0.217079D+02 -0.101003D+02  0.349640D+01 -0.877895D+01  0.165619D+01
               311           312           313           314           315 
      1  -0.258942D+01  0.878952D+00  0.391928D+01  0.137346D+01 -0.287179D+00
      2   0.750908D+01 -0.140056D+01 -0.115023D+01 -0.494330D+01  0.144742D+01
      3  -0.491966D+01  0.521606D+00 -0.276905D+01  0.356984D+01 -0.116025D+01
      4  -0.954382D+01  0.233514D+01 -0.157728D+02  0.651090D+01 -0.107336D+02
      5   0.183399D+01 -0.879656D+00  0.739034D+01 -0.312116D+01  0.727875D+01
      6  -0.219851D+01  0.400146D+01 -0.111236D+02  0.872909D+01 -0.139888D+02
               316           317           318           319           320 
      1   0.158487D+02  0.289540D+01 -0.466577D+01 -0.926917D-01  0.427290D+01
      2  -0.140352D+02 -0.591534D+01  0.700697D+01 -0.172178D+01 -0.272138D+01
      3  -0.181349D+01  0.301994D+01 -0.234120D+01  0.181447D+01 -0.155152D+01
      4  -0.158259D+02  0.601841D+01  0.747244D+01  0.176519D+01 -0.871254D+00
      5  -0.169051D+02  0.296968D+01  0.104018D+02 -0.157594D+01 -0.220314D+00
      6   0.757055D+01 -0.391294D+01 -0.665349D+01 -0.348486D+00 -0.158540D+01
               321           322           323           324           325 
      1   0.972870D+00 -0.328152D+01  0.104197D+01  0.118767D+01 -0.376895D+00
      2  -0.205490D+00  0.645365D+01 -0.228458D+01 -0.691344D+01 -0.424459D+01
      3  -0.767380D+00 -0.317213D+01  0.124261D+01  0.572577D+01  0.462149D+01
      4   0.112692D+00  0.330564D+01 -0.215563D+00 -0.337442D+01  0.343994D+01
      5   0.740435D+00  0.777092D+01 -0.215370D+00 -0.695960D+01  0.187555D+01
      6  -0.728063D-01 -0.353847D+01  0.123715D+01  0.504075D+01  0.287955D+01
               326           327           328           329           330 
      1  -0.624535D+01 -0.703848D+01 -0.185620D+01 -0.117592D+01 -0.106225D+01
      2   0.648334D+01 -0.197515D+01  0.205031D+01 -0.111244D+01  0.527437D+00
      3  -0.237982D+00  0.901364D+01 -0.194117D+00  0.228836D+01  0.534808D+00
      4  -0.503993D+00  0.360263D+01  0.336295D-01  0.217370D+01  0.126694D+01
      5  -0.591016D-01  0.372645D+01  0.190440D+00  0.241179D+01  0.107953D+01
      6   0.546504D+01  0.845622D+01  0.249561D+01  0.187008D+01  0.456356D+01
               331           332           333 
      1  -0.258550D+01 -0.578821D+01 -0.145458D+02
      2  -0.122414D+01  0.222411D+01 -0.126133D+02
      3   0.380964D+01  0.356410D+01  0.271592D+02
      4   0.334910D+01 -0.553674D+00  0.306331D+01
      5   0.395377D+01 -0.937112D-01 -0.470915D+00
      6   0.199295D+01  0.722912D+01  0.199528D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 01:50:56 2021, MaxMem= 10737418240 cpu:          217710.3 elap:           13623.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.09024 -15.09022 -15.09003 -15.09001 -15.09000
 Alpha  occ. eigenvalues --  -15.08991 -10.88072 -10.88042 -10.88001 -10.87996
 Alpha  occ. eigenvalues --  -10.87961 -10.87955  -3.84539  -2.60675  -2.60667
 Alpha  occ. eigenvalues --   -2.60233  -1.50870  -1.49665  -1.49632  -1.46811
 Alpha  occ. eigenvalues --   -1.46784  -1.46716  -1.28880  -1.28604  -1.28598
 Alpha  occ. eigenvalues --   -1.16570  -1.16366  -1.15713  -1.08461  -1.08231
 Alpha  occ. eigenvalues --   -1.08017  -1.06837  -1.06150  -1.05620  -1.05211
 Alpha  occ. eigenvalues --   -1.05094  -1.04557  -0.98299  -0.98259  -0.97570
 Alpha  occ. eigenvalues --   -0.96905  -0.96698  -0.96665  -0.94487  -0.93263
 Alpha  occ. eigenvalues --   -0.93260  -0.89348  -0.89297  -0.88488  -0.88010
 Alpha  occ. eigenvalues --   -0.87427  -0.86992  -0.84851  -0.84711  -0.84638
 Alpha  occ. eigenvalues --   -0.83466  -0.83034  -0.82988
 Alpha virt. eigenvalues --   -0.38164  -0.38158  -0.35496  -0.34397  -0.33149
 Alpha virt. eigenvalues --   -0.32883  -0.30886  -0.30476  -0.30255  -0.29083
 Alpha virt. eigenvalues --   -0.28313  -0.26875  -0.26726  -0.26523  -0.26384
 Alpha virt. eigenvalues --   -0.26145  -0.25972  -0.25154  -0.24882  -0.24301
 Alpha virt. eigenvalues --   -0.24283  -0.22993  -0.22242  -0.22156  -0.21930
 Alpha virt. eigenvalues --   -0.21837  -0.21599  -0.21451  -0.20714  -0.20551
 Alpha virt. eigenvalues --   -0.20221  -0.19722  -0.19055  -0.18968  -0.18521
 Alpha virt. eigenvalues --   -0.18231  -0.18183  -0.17849  -0.17593  -0.17142
 Alpha virt. eigenvalues --   -0.16848  -0.16716  -0.16695  -0.16360  -0.16137
 Alpha virt. eigenvalues --   -0.15885  -0.15335  -0.15192  -0.15154  -0.14943
 Alpha virt. eigenvalues --   -0.14736  -0.14562  -0.14274  -0.14111  -0.13850
 Alpha virt. eigenvalues --   -0.13497  -0.13210  -0.13134  -0.12659  -0.12246
 Alpha virt. eigenvalues --   -0.12202  -0.11846  -0.11708  -0.11446  -0.11131
 Alpha virt. eigenvalues --   -0.10832  -0.10778  -0.10583  -0.10490  -0.10288
 Alpha virt. eigenvalues --   -0.09962  -0.09779  -0.09582  -0.09317  -0.09258
 Alpha virt. eigenvalues --   -0.09014  -0.08505  -0.08250  -0.07949  -0.07687
 Alpha virt. eigenvalues --   -0.07583  -0.07046  -0.06882  -0.06748  -0.06579
 Alpha virt. eigenvalues --   -0.06320  -0.05562  -0.05342  -0.05181  -0.05009
 Alpha virt. eigenvalues --   -0.04541  -0.04416  -0.04333  -0.03685  -0.03256
 Alpha virt. eigenvalues --   -0.03134  -0.03111  -0.02424  -0.01716  -0.01620
 Alpha virt. eigenvalues --   -0.01373  -0.00954  -0.00718  -0.00009   0.00436
 Alpha virt. eigenvalues --    0.00625   0.01139   0.02098   0.02352   0.02421
 Alpha virt. eigenvalues --    0.02638   0.03882   0.03904   0.04618   0.05049
 Alpha virt. eigenvalues --    0.05279   0.05354   0.05729   0.06199   0.06277
 Alpha virt. eigenvalues --    0.06627   0.07087   0.07646   0.07808   0.08373
 Alpha virt. eigenvalues --    0.08819   0.09352   0.09518   0.09665   0.10102
 Alpha virt. eigenvalues --    0.10208   0.10242   0.10559   0.11256   0.11755
 Alpha virt. eigenvalues --    0.12790   0.12862   0.13048   0.13659   0.14128
 Alpha virt. eigenvalues --    0.14244   0.14532   0.14683   0.15324   0.15518
 Alpha virt. eigenvalues --    0.16075   0.16521   0.16894   0.17400   0.17724
 Alpha virt. eigenvalues --    0.17998   0.18652   0.18732   0.19242   0.19353
 Alpha virt. eigenvalues --    0.19821   0.20450   0.20823   0.21385   0.21717
 Alpha virt. eigenvalues --    0.22280   0.22420   0.22814   0.23418   0.24095
 Alpha virt. eigenvalues --    0.24595   0.24999   0.25293   0.26459   0.26742
 Alpha virt. eigenvalues --    0.27380   0.27585   0.28191   0.28430   0.28830
 Alpha virt. eigenvalues --    0.28917   0.29597   0.29744   0.30659   0.31133
 Alpha virt. eigenvalues --    0.31222   0.31437   0.31829   0.32035   0.32580
 Alpha virt. eigenvalues --    0.32775   0.33033   0.33187   0.33659   0.33864
 Alpha virt. eigenvalues --    0.34749   0.34950   0.35129   0.35903   0.36185
 Alpha virt. eigenvalues --    0.36524   0.36796   0.37563   0.37794   0.38825
 Alpha virt. eigenvalues --    0.39001   0.39450   0.39802   0.40398   0.40595
 Alpha virt. eigenvalues --    0.40987   0.41415   0.41939   0.42511   0.43104
 Alpha virt. eigenvalues --    0.43108   0.43415   0.43732   0.43771   0.44467
 Alpha virt. eigenvalues --    0.45035   0.45639   0.47640   0.48619   0.48802
 Alpha virt. eigenvalues --    0.49337   0.49664   0.49758   0.50929   0.51430
 Alpha virt. eigenvalues --    0.52093   0.52392   0.52760   0.53149   0.53775
 Alpha virt. eigenvalues --    0.54337   0.54845   0.54982   0.55186   0.55605
 Alpha virt. eigenvalues --    0.55925   0.57563   0.57657   0.58243   0.58366
 Alpha virt. eigenvalues --    0.60006   0.60743   0.60987   0.61394   0.61933
 Alpha virt. eigenvalues --    0.63301   0.63716   0.63923   0.64040   0.65553
 Alpha virt. eigenvalues --    0.65725   0.68073   0.68145   0.70031   0.70288
 Alpha virt. eigenvalues --    0.71166   0.71719   0.72190   0.73045   0.73442
 Alpha virt. eigenvalues --    0.74172   0.74884   0.75480   0.77002   0.77622
 Alpha virt. eigenvalues --    0.77853   0.78525   0.80134   0.80884   0.82104
 Alpha virt. eigenvalues --    0.84180   0.84464   0.85502   0.86225   0.86605
 Alpha virt. eigenvalues --    0.88847   0.89753   0.89774   0.91332   0.91361
 Alpha virt. eigenvalues --    0.93125   0.93945   0.95922   0.95954   0.97387
 Alpha virt. eigenvalues --    0.98242   0.99844   1.01291   1.02202   1.02876
 Alpha virt. eigenvalues --    1.05088   1.05660   1.06054   1.10260   1.10403
 Alpha virt. eigenvalues --    1.13201   1.13378   1.14539   1.16135   1.16424
 Alpha virt. eigenvalues --    1.16577   1.18671   1.18796   1.21625   1.23798
 Alpha virt. eigenvalues --    1.24462   1.26194   1.26593   1.26792   1.28562
 Alpha virt. eigenvalues --    1.29198   1.31861   1.32036   1.32594   1.33504
 Alpha virt. eigenvalues --    1.34240   1.34399   1.35028   1.36315   1.36851
 Alpha virt. eigenvalues --    1.39686   1.41427   1.41553   1.43133   1.44194
 Alpha virt. eigenvalues --    1.44232   1.44829   1.44991   1.46041   1.46671
 Alpha virt. eigenvalues --    1.47365   1.47508   1.47943   1.48050   1.49676
 Alpha virt. eigenvalues --    1.50230   1.51495   1.51580   1.53657   1.53750
 Alpha virt. eigenvalues --    1.54701   1.55920   1.56984   1.57937   1.58098
 Alpha virt. eigenvalues --    1.59689   1.59932   1.60278   1.61252   1.61976
 Alpha virt. eigenvalues --    1.62290   1.63246   1.64103   1.64456   1.64961
 Alpha virt. eigenvalues --    1.65930   1.66392   1.66826   1.68297   1.68429
 Alpha virt. eigenvalues --    1.69550   1.70890   1.70911   1.72227   1.73264
 Alpha virt. eigenvalues --    1.73861   1.74403   1.75265   1.76287   1.77017
 Alpha virt. eigenvalues --    1.77527   1.78139   1.78927   1.80808   1.81720
 Alpha virt. eigenvalues --    1.82688   1.83048   1.83740   1.84724   1.85271
 Alpha virt. eigenvalues --    1.86753   1.87299   1.89095   1.90232   1.90247
 Alpha virt. eigenvalues --    1.90388   1.91337   1.92115   1.93605   1.94811
 Alpha virt. eigenvalues --    1.94922   1.95079   1.95967   1.98193   1.99734
 Alpha virt. eigenvalues --    2.00734   2.01723   2.02571   2.03921   2.04470
 Alpha virt. eigenvalues --    2.06228   2.07589   2.08832   2.09175   2.09788
 Alpha virt. eigenvalues --    2.10390   2.12429   2.12735   2.13695   2.14306
 Alpha virt. eigenvalues --    2.15329   2.16968   2.17468   2.18157   2.19721
 Alpha virt. eigenvalues --    2.20344   2.21104   2.22038   2.22472   2.23424
 Alpha virt. eigenvalues --    2.25119   2.25259   2.25591   2.25962   2.27283
 Alpha virt. eigenvalues --    2.27325   2.27583   2.28611   2.29868   2.30133
 Alpha virt. eigenvalues --    2.30844   2.32605   2.33775   2.34150   2.34619
 Alpha virt. eigenvalues --    2.35048   2.35388   2.36330   2.36423   2.37711
 Alpha virt. eigenvalues --    2.37954   2.38720   2.39965   2.40267   2.41361
 Alpha virt. eigenvalues --    2.42592   2.44316   2.46070   2.49039   2.49971
 Alpha virt. eigenvalues --    2.51062   2.53591   2.56037   2.58400   2.59872
 Alpha virt. eigenvalues --    2.61684   2.63098   2.63578   2.68845   2.69181
 Alpha virt. eigenvalues --    2.70413   2.74597   2.75276   2.75509   2.76748
 Alpha virt. eigenvalues --    2.77991   2.78523   2.85589   2.86906   2.88563
 Alpha virt. eigenvalues --    2.91820   2.93139   2.95939   3.01741   3.02024
 Alpha virt. eigenvalues --    3.02558   3.04383   3.05590   3.05826   3.10737
 Alpha virt. eigenvalues --    3.13673   3.18198   3.29688   3.39352   3.81947
 Alpha virt. eigenvalues --    5.69507   5.94872  45.28685
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.287623   0.374846   0.408181  -1.520845  -0.058587  -0.028895
     2  C    0.374846   5.384562   0.989677  -1.684157   0.166082   0.011414
     3  N    0.408181   0.989677   9.645017  -5.567022   0.520381   0.165407
     4  Rh  -1.520845  -1.684157  -5.567022  57.811671  -5.590183  -1.692223
     5  N   -0.058587   0.166082   0.520381  -5.590183   9.656643   0.991809
     6  C   -0.028895   0.011414   0.165407  -1.692223   0.991809   5.386523
     7  C   -0.074347  -0.028645  -0.057742  -1.528486   0.410460   0.375430
     8  N   -0.033587   0.007881   0.160505  -5.963995   0.541675   0.273293
     9  N    1.070030   0.271704   0.539066  -5.947429   0.163827   0.008083
    10  N   -0.024723  -0.032236   0.169508  -5.514232   0.092858   0.138752
    11  C    0.026625  -0.046156   0.068796  -1.187755  -0.077450  -0.007789
    12  H   -0.005345   0.003774  -0.019009   0.414219  -0.017363  -0.065056
    13  H    0.009075  -0.006627   0.070516   0.119205   0.039016  -0.113260
    14  H    0.004008   0.001725   0.006866   0.582306  -0.626063   0.186913
    15  H   -0.000885  -0.010503  -0.027082   0.098950  -0.040802  -0.373298
    16  H   -0.110788   0.187198  -0.624755   0.580006   0.006789   0.001746
    17  H   -0.081578  -0.372410  -0.041107   0.099258  -0.027004  -0.010536
    18  H    0.207544  -0.064915  -0.017098   0.413079  -0.019073   0.003815
    19  H   -0.354168  -0.112710   0.039294   0.117646   0.070926  -0.006732
    20  H   -0.189225   0.026186  -0.042206  -0.179401   0.079661   0.006929
    21  H    0.003139  -0.017704   0.003533   0.205480  -0.095234  -0.012997
    22  H    0.038421  -0.141832   0.342309  -0.111997  -0.016290   0.002572
    23  H   -0.041924  -0.017255  -0.034166   0.247424   0.026162   0.010498
    24  H    0.005971   0.002632  -0.016434  -0.112078   0.341271  -0.141677
    25  H    0.030391   0.010543   0.026046   0.248008  -0.035010  -0.017293
    26  H    0.008963   0.006884   0.079399  -0.179546  -0.042450   0.026307
    27  H   -0.003355  -0.012945  -0.095084   0.204874   0.003542  -0.017292
    28  C    0.004457  -0.008421  -0.077837  -1.189605   0.068824  -0.046102
    29  N    0.172592   0.136598   0.091738  -5.510154   0.171192  -0.031504
    30  H   -0.003477   0.006789  -0.002542   0.114610  -0.069924   0.019278
    31  H   -0.007705  -0.006344  -0.000252  -0.110126   0.014452   0.030265
    32  H   -0.010885  -0.002382  -0.017167  -0.230414  -0.023759   0.001350
    33  H    0.010455  -0.001591   0.005960   0.453523   0.008164  -0.001634
    34  H   -0.008141  -0.001663   0.008128   0.451507   0.005956  -0.001614
    35  H    0.004764   0.001284  -0.023906  -0.227744  -0.017200  -0.002378
    36  H   -0.014095   0.019450  -0.069568   0.113303  -0.002505   0.006818
    37  H    0.005694   0.030147   0.014255  -0.109118  -0.000256  -0.006387
               7          8          9         10         11         12
     1  C   -0.074347  -0.033587   1.070030  -0.024723   0.026625  -0.005345
     2  C   -0.028645   0.007881   0.271704  -0.032236  -0.046156   0.003774
     3  N   -0.057742   0.160505   0.539066   0.169508   0.068796  -0.019009
     4  Rh  -1.528486  -5.963995  -5.947429  -5.514232  -1.187755   0.414219
     5  N    0.410460   0.541675   0.163827   0.092858  -0.077450  -0.017363
     6  C    0.375430   0.273293   0.008083   0.138752  -0.007789  -0.065056
     7  C    5.288297   1.071206  -0.033524   0.173724   0.004356   0.207312
     8  N    1.071206   9.591860   0.184753   0.778345   0.182331  -0.496499
     9  N   -0.033524   0.184753   9.584474   0.178003   0.100185   0.000234
    10  N    0.173724   0.778345   0.178003   9.212867   0.847153   0.019765
    11  C    0.004356   0.182331   0.100185   0.847153   5.071526  -0.003498
    12  H    0.207312  -0.496499   0.000234   0.019765  -0.003498   1.925755
    13  H   -0.353350  -0.093639  -0.015862  -0.034697   0.007388  -0.610738
    14  H   -0.111426  -0.026211   0.021074  -0.028192   0.004449   0.000311
    15  H   -0.080702  -0.021367  -0.036868   0.075667  -0.000947  -0.168817
    16  H    0.003982   0.021021  -0.025769   0.000584  -0.003184   0.000555
    17  H   -0.000840  -0.036678  -0.021419  -0.028585  -0.001303   0.000204
    18  H   -0.005353   0.000266  -0.495598   0.016884   0.004427  -0.000116
    19  H    0.009152  -0.015898  -0.092716  -0.034685  -0.006046  -0.000398
    20  H    0.008953   0.016951   0.307773  -0.021375  -0.004239   0.000356
    21  H   -0.003319  -0.002928   0.042391   0.032825   0.024889  -0.000440
    22  H    0.006081  -0.054404  -0.019147   0.013930   0.006807  -0.000047
    23  H    0.030451   0.016676   0.002308  -0.006365  -0.010126   0.005767
    24  H    0.038294  -0.019366  -0.054338   0.063717   0.000414   0.006395
    25  H   -0.042062   0.002527   0.016867  -0.049967   0.006548   0.001741
    26  H   -0.189315   0.307471   0.016938   0.035186   0.043444  -0.050788
    27  H    0.002929   0.043154  -0.002884   0.010099  -0.012066   0.040593
    28  C    0.026799   0.101049   0.181567   0.118722   0.343297   0.004512
    29  N   -0.024427   0.182571   0.775558   0.492569   0.117632   0.016881
    30  H   -0.014148  -0.049806   0.024999   0.163544  -0.019670   0.001314
    31  H    0.005749   0.036197  -0.052189   0.406495  -0.100670   0.002371
    32  H    0.004671   0.066747  -0.045430   0.117801  -0.220811  -0.005028
    33  H   -0.008135  -0.046499   0.038141  -0.505849   0.073181  -0.000010
    34  H    0.010517   0.038062  -0.046297  -0.030210   0.031976   0.000914
    35  H   -0.010926  -0.045335   0.066097   0.083497  -0.115452  -0.000319
    36  H   -0.003445   0.025249  -0.049681   0.016317   0.013420  -0.000027
    37  H   -0.007684  -0.052357   0.036086  -0.024917  -0.001017   0.004282
              13         14         15         16         17         18
     1  C    0.009075   0.004008  -0.000885  -0.110788  -0.081578   0.207544
     2  C   -0.006627   0.001725  -0.010503   0.187198  -0.372410  -0.064915
     3  N    0.070516   0.006866  -0.027082  -0.624755  -0.041107  -0.017098
     4  Rh   0.119205   0.582306   0.098950   0.580006   0.099258   0.413079
     5  N    0.039016  -0.626063  -0.040802   0.006789  -0.027004  -0.019073
     6  C   -0.113260   0.186913  -0.373298   0.001746  -0.010536   0.003815
     7  C   -0.353350  -0.111426  -0.080702   0.003982  -0.000840  -0.005353
     8  N   -0.093639  -0.026211  -0.021367   0.021021  -0.036678   0.000266
     9  N   -0.015862   0.021074  -0.036868  -0.025769  -0.021419  -0.495598
    10  N   -0.034697  -0.028192   0.075667   0.000584  -0.028585   0.016884
    11  C    0.007388   0.004449  -0.000947  -0.003184  -0.001303   0.004427
    12  H   -0.610738   0.000311  -0.168817   0.000555   0.000204  -0.000116
    13  H    2.468470  -0.163774   0.205631  -0.000733  -0.001688  -0.000399
    14  H   -0.163774   1.979209  -0.615807   0.002103  -0.000854   0.000563
    15  H    0.205631  -0.615807   2.523727  -0.000851  -0.000960   0.000203
    16  H   -0.000733   0.002103  -0.000851   1.978553  -0.615507   0.000151
    17  H   -0.001688  -0.000854  -0.000960  -0.615507   2.522788  -0.168651
    18  H   -0.000399   0.000563   0.000203   0.000151  -0.168651   1.925283
    19  H    0.002840  -0.000742  -0.001698  -0.163540   0.205475  -0.610813
    20  H    0.000298  -0.000456  -0.000745   0.007270  -0.005840  -0.050752
    21  H    0.000337   0.002540  -0.001078   0.000235  -0.004883   0.040474
    22  H   -0.000452  -0.000210  -0.003293  -0.057209   0.075782   0.006403
    23  H   -0.012643   0.004514  -0.004857   0.060938  -0.134509   0.001757
    24  H   -0.018116  -0.057041   0.075855  -0.000221  -0.003279  -0.000053
    25  H   -0.005495   0.060930  -0.134415   0.004520  -0.004863   0.005771
    26  H    0.075113   0.007275  -0.005761  -0.000455  -0.000746   0.000357
    27  H   -0.121164   0.000230  -0.004841   0.002540  -0.001056  -0.000440
    28  C   -0.006153  -0.003146  -0.001433   0.004450  -0.000938  -0.003376
    29  N   -0.034671   0.000616  -0.028677  -0.028192   0.076045   0.019861
    30  H   -0.005448  -0.002826  -0.001951   0.000474  -0.000537  -0.000027
    31  H   -0.003110   0.003593  -0.007027  -0.000134  -0.002407   0.004281
    32  H   -0.000358  -0.001930   0.001810  -0.000408  -0.000129  -0.000315
    33  H    0.000270  -0.000233   0.004552   0.000025   0.000064   0.000902
    34  H   -0.000006   0.000026   0.000052  -0.000230   0.004517  -0.000011
    35  H   -0.001501  -0.000407  -0.000134  -0.001916   0.001824  -0.004966
    36  H   -0.000439   0.000476  -0.000540  -0.002779  -0.002111   0.001323
    37  H   -0.003132  -0.000142  -0.002412   0.003583  -0.006940   0.002357
              19         20         21         22         23         24
     1  C   -0.354168  -0.189225   0.003139   0.038421  -0.041924   0.005971
     2  C   -0.112710   0.026186  -0.017704  -0.141832  -0.017255   0.002632
     3  N    0.039294  -0.042206   0.003533   0.342309  -0.034166  -0.016434
     4  Rh   0.117646  -0.179401   0.205480  -0.111997   0.247424  -0.112078
     5  N    0.070926   0.079661  -0.095234  -0.016290   0.026162   0.341271
     6  C   -0.006732   0.006929  -0.012997   0.002572   0.010498  -0.141677
     7  C    0.009152   0.008953  -0.003319   0.006081   0.030451   0.038294
     8  N   -0.015898   0.016951  -0.002928  -0.054404   0.016676  -0.019366
     9  N   -0.092716   0.307773   0.042391  -0.019147   0.002308  -0.054338
    10  N   -0.034685  -0.021375   0.032825   0.013930  -0.006365   0.063717
    11  C   -0.006046  -0.004239   0.024889   0.006807  -0.010126   0.000414
    12  H   -0.000398   0.000356  -0.000440  -0.000047   0.005767   0.006395
    13  H    0.002840   0.000298   0.000337  -0.000452  -0.012643  -0.018116
    14  H   -0.000742  -0.000456   0.002540  -0.000210   0.004514  -0.057041
    15  H   -0.001698  -0.000745  -0.001078  -0.003293  -0.004857   0.075855
    16  H   -0.163540   0.007270   0.000235  -0.057209   0.060938  -0.000221
    17  H    0.205475  -0.005840  -0.004883   0.075782  -0.134509  -0.003279
    18  H   -0.610813  -0.050752   0.040474   0.006403   0.001757  -0.000053
    19  H    2.468747   0.074989  -0.121001  -0.018249  -0.005462  -0.000432
    20  H    0.074989   1.006117  -0.195477  -0.000957   0.003265   0.001943
    21  H   -0.121001  -0.195477   1.012711   0.003488  -0.000698  -0.000066
    22  H   -0.018249  -0.000957   0.003488   0.976912  -0.209026  -0.000251
    23  H   -0.005462   0.003265  -0.000698  -0.209026   1.039204  -0.004758
    24  H   -0.000432   0.001943  -0.000066  -0.000251  -0.004758   0.977994
    25  H   -0.012748  -0.003714   0.001762  -0.004747   0.003679  -0.209076
    26  H    0.000299  -0.000590   0.000182   0.001924  -0.003733  -0.000950
    27  H    0.000347   0.000191  -0.000205  -0.000091   0.001805   0.003495
    28  C    0.007308   0.043213  -0.011840   0.000431   0.006569   0.006804
    29  N   -0.034616   0.035191   0.009931   0.063485  -0.049897   0.013892
    30  H   -0.000445   0.001542  -0.001863  -0.000158   0.000834   0.003567
    31  H   -0.003150  -0.001771   0.004426   0.000795   0.000348  -0.001678
    32  H   -0.001499  -0.002458  -0.003835   0.000965  -0.000651   0.000424
    33  H    0.000000  -0.001049   0.005101   0.000064  -0.000471  -0.000362
    34  H    0.000268   0.002627   0.001970  -0.000359   0.001311   0.000064
    35  H   -0.000394  -0.009610  -0.004782   0.000411  -0.001807   0.000971
    36  H   -0.005456   0.000751  -0.001849   0.003545  -0.002523  -0.000159
    37  H   -0.003096  -0.001932   0.002821  -0.001681   0.003412   0.000795
              25         26         27         28         29         30
     1  C    0.030391   0.008963  -0.003355   0.004457   0.172592  -0.003477
     2  C    0.010543   0.006884  -0.012945  -0.008421   0.136598   0.006789
     3  N    0.026046   0.079399  -0.095084  -0.077837   0.091738  -0.002542
     4  Rh   0.248008  -0.179546   0.204874  -1.189605  -5.510154   0.114610
     5  N   -0.035010  -0.042450   0.003542   0.068824   0.171192  -0.069924
     6  C   -0.017293   0.026307  -0.017292  -0.046102  -0.031504   0.019278
     7  C   -0.042062  -0.189315   0.002929   0.026799  -0.024427  -0.014148
     8  N    0.002527   0.307471   0.043154   0.101049   0.182571  -0.049806
     9  N    0.016867   0.016938  -0.002884   0.181567   0.775558   0.024999
    10  N   -0.049967   0.035186   0.010099   0.118722   0.492569   0.163544
    11  C    0.006548   0.043444  -0.012066   0.343297   0.117632  -0.019670
    12  H    0.001741  -0.050788   0.040593   0.004512   0.016881   0.001314
    13  H   -0.005495   0.075113  -0.121164  -0.006153  -0.034671  -0.005448
    14  H    0.060930   0.007275   0.000230  -0.003146   0.000616  -0.002826
    15  H   -0.134415  -0.005761  -0.004841  -0.001433  -0.028677  -0.001951
    16  H    0.004520  -0.000455   0.002540   0.004450  -0.028192   0.000474
    17  H   -0.004863  -0.000746  -0.001056  -0.000938   0.076045  -0.000537
    18  H    0.005771   0.000357  -0.000440  -0.003376   0.019861  -0.000027
    19  H   -0.012748   0.000299   0.000347   0.007308  -0.034616  -0.000445
    20  H   -0.003714  -0.000590   0.000191   0.043213   0.035191   0.001542
    21  H    0.001762   0.000182  -0.000205  -0.011840   0.009931  -0.001863
    22  H   -0.004747   0.001924  -0.000091   0.000431   0.063485  -0.000158
    23  H    0.003679  -0.003733   0.001805   0.006569  -0.049897   0.000834
    24  H   -0.209076  -0.000950   0.003495   0.006804   0.013892   0.003567
    25  H    1.039409   0.003270  -0.000687  -0.010103  -0.006318  -0.002490
    26  H    0.003270   1.007133  -0.195611  -0.004393  -0.021283   0.000878
    27  H   -0.000687  -0.195611   1.012296   0.025009   0.032327  -0.001887
    28  C   -0.010103  -0.004393   0.025009   5.072171   0.847964   0.013566
    29  N   -0.006318  -0.021283   0.032327   0.847964   9.207524   0.015934
    30  H   -0.002490   0.000878  -0.001887   0.013566   0.015934   1.086861
    31  H    0.003408  -0.001972   0.002846  -0.001139  -0.024304  -0.208026
    32  H   -0.001820  -0.009524  -0.004824  -0.115694   0.084730  -0.125024
    33  H    0.001320   0.002626   0.001961   0.031554  -0.030761   0.017451
    34  H   -0.000469  -0.001098   0.005115   0.073138  -0.504263   0.008144
    35  H   -0.000668  -0.002456  -0.003836  -0.221166   0.117168  -0.003486
    36  H    0.000838   0.001556  -0.001874  -0.019649   0.163846  -0.001175
    37  H    0.000349  -0.001812   0.004463  -0.101051   0.406887   0.005839
              31         32         33         34         35         36
     1  C   -0.007705  -0.010885   0.010455  -0.008141   0.004764  -0.014095
     2  C   -0.006344  -0.002382  -0.001591  -0.001663   0.001284   0.019450
     3  N   -0.000252  -0.017167   0.005960   0.008128  -0.023906  -0.069568
     4  Rh  -0.110126  -0.230414   0.453523   0.451507  -0.227744   0.113303
     5  N    0.014452  -0.023759   0.008164   0.005956  -0.017200  -0.002505
     6  C    0.030265   0.001350  -0.001634  -0.001614  -0.002378   0.006818
     7  C    0.005749   0.004671  -0.008135   0.010517  -0.010926  -0.003445
     8  N    0.036197   0.066747  -0.046499   0.038062  -0.045335   0.025249
     9  N   -0.052189  -0.045430   0.038141  -0.046297   0.066097  -0.049681
    10  N    0.406495   0.117801  -0.505849  -0.030210   0.083497   0.016317
    11  C   -0.100670  -0.220811   0.073181   0.031976  -0.115452   0.013420
    12  H    0.002371  -0.005028  -0.000010   0.000914  -0.000319  -0.000027
    13  H   -0.003110  -0.000358   0.000270  -0.000006  -0.001501  -0.000439
    14  H    0.003593  -0.001930  -0.000233   0.000026  -0.000407   0.000476
    15  H   -0.007027   0.001810   0.004552   0.000052  -0.000134  -0.000540
    16  H   -0.000134  -0.000408   0.000025  -0.000230  -0.001916  -0.002779
    17  H   -0.002407  -0.000129   0.000064   0.004517   0.001824  -0.002111
    18  H    0.004281  -0.000315   0.000902  -0.000011  -0.004966   0.001323
    19  H   -0.003150  -0.001499   0.000000   0.000268  -0.000394  -0.005456
    20  H   -0.001771  -0.002458  -0.001049   0.002627  -0.009610   0.000751
    21  H    0.004426  -0.003835   0.005101   0.001970  -0.004782  -0.001849
    22  H    0.000795   0.000965   0.000064  -0.000359   0.000411   0.003545
    23  H    0.000348  -0.000651  -0.000471   0.001311  -0.001807  -0.002523
    24  H   -0.001678   0.000424  -0.000362   0.000064   0.000971  -0.000159
    25  H    0.003408  -0.001820   0.001320  -0.000469  -0.000668   0.000838
    26  H   -0.001972  -0.009524   0.002626  -0.001098  -0.002456   0.001556
    27  H    0.002846  -0.004824   0.001961   0.005115  -0.003836  -0.001874
    28  C   -0.001139  -0.115694   0.031554   0.073138  -0.221166  -0.019649
    29  N   -0.024304   0.084730  -0.030761  -0.504263   0.117168   0.163846
    30  H   -0.208026  -0.125024   0.017451   0.008144  -0.003486  -0.001175
    31  H    0.883715   0.058093  -0.041715   0.002646  -0.025820   0.005835
    32  H    0.058093   2.486478  -0.595700  -0.153277   0.198120  -0.003473
    33  H   -0.041715  -0.595700   1.935102   0.005584  -0.153076   0.008112
    34  H    0.002646  -0.153277   0.005584   1.934347  -0.595473   0.017491
    35  H   -0.025820   0.198120  -0.153076  -0.595473   2.485674  -0.124902
    36  H    0.005835  -0.003473   0.008112   0.017491  -0.124902   1.086473
    37  H   -0.003999  -0.025811   0.002648  -0.041929   0.058210  -0.207993
              37
     1  C    0.005694
     2  C    0.030147
     3  N    0.014255
     4  Rh  -0.109118
     5  N   -0.000256
     6  C   -0.006387
     7  C   -0.007684
     8  N   -0.052357
     9  N    0.036086
    10  N   -0.024917
    11  C   -0.001017
    12  H    0.004282
    13  H   -0.003132
    14  H   -0.000142
    15  H   -0.002412
    16  H    0.003583
    17  H   -0.006940
    18  H    0.002357
    19  H   -0.003096
    20  H   -0.001932
    21  H    0.002821
    22  H   -0.001681
    23  H    0.003412
    24  H    0.000795
    25  H    0.000349
    26  H   -0.001812
    27  H    0.004463
    28  C   -0.101051
    29  N    0.406887
    30  H    0.005839
    31  H   -0.003999
    32  H   -0.025811
    33  H    0.002648
    34  H   -0.041929
    35  H    0.058210
    36  H   -0.207993
    37  H    0.883734
 Mulliken charges:
               1
     1  C    0.899773
     2  C    0.929115
     3  N    0.378393
     4  Rh  -1.118557
     5  N    0.379465
     6  C    0.929466
     7  C    0.899515
     8  N    0.308781
     9  N    0.308991
    10  N    0.077220
    11  C    0.839337
    12  H   -0.213758
    13  H   -0.390701
    14  H   -0.230269
    15  H   -0.408697
    16  H   -0.230055
    17  H   -0.408598
    18  H   -0.213743
    19  H   -0.390595
    20  H    0.087593
    21  H    0.081964
    22  H    0.096072
    23  H    0.073950
    24  H    0.095840
    25  H    0.074015
    26  H    0.087278
    27  H    0.082322
    28  C    0.840641
    29  N    0.076336
    30  H    0.029286
    31  H    0.138023
    32  H   -0.418583
    33  H   -0.219679
    34  H   -0.219322
    35  H   -0.418364
    36  H    0.029442
    37  H    0.138105
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.295435
     2  C    0.290462
     3  N    0.548415
     4  Rh  -1.118557
     5  N    0.549319
     6  C    0.290500
     7  C    0.295056
     8  N    0.478382
     9  N    0.478548
    10  N    0.244528
    11  C    0.201074
    28  C    0.202955
    29  N    0.243883
 Electronic spatial extent (au):  <R**2>=           2776.5765
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0019    Y=              0.0314    Z=              0.0019  Tot=              0.0315
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.4662   YY=            -30.7252   ZZ=            -52.6351
   XY=              0.0107   XZ=              0.0981   YZ=             -0.0017
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.4760   YY=              7.2170   ZZ=            -14.6929
   XY=              0.0107   XZ=              0.0981   YZ=             -0.0017
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -2.5113  YYY=             38.5578  ZZZ=              0.0017  XYY=              2.4936
  XXY=            -37.6985  XXZ=             -0.0462  XZZ=             -0.0253  YZZ=             -0.4877
  YYZ=              0.0401  XYZ=             -0.8395
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -984.9444 YYYY=           -952.0422 ZZZZ=           -380.8633 XXXY=              0.3579
 XXXZ=             35.4802 YYYX=             -0.0085 YYYZ=              2.4559 ZZZX=              4.7721
 ZZZY=             -0.1171 XXYY=           -319.8560 XXZZ=           -232.1316 YYZZ=           -234.8401
 XXYZ=             -2.4316 YYXZ=            -37.8226 ZZXY=             -0.1094
 N-N= 1.198209073905D+03 E-N=-3.903463006392D+03  KE= 6.066345793211D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 01:50:57 2021, MaxMem= 10737418240 cpu:              13.4 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.58655459D-04 1.43809002D-02 7.25989390D-04
 Polarizability= 1.49422457D+02-4.41604134D-03 1.48319784D+02
                -4.53560410D-02-4.68735167D-05 1.20631710D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0242    0.0258       -0.0050   -0.0048
 2     -0.0242   -0.0258        0.0004   -0.0002       -0.5528   -0.5700
 3      0.0050    0.0048       14.4981   14.5354        0.0012    0.0002
 4     -0.0004    0.0002        0.0000    0.0000        0.0055    0.0048
 5    -13.9452  -13.9654       -0.0055   -0.0048        0.0357    0.0258
 6     -0.0012   -0.0002       -0.0357   -0.0258       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0774   -0.0774       -0.0145   -0.0145
 2      0.0006    0.0006       -0.0000    0.0000       -0.0145   -0.0145
 3      0.0006    0.0006       -0.0774   -0.0774        0.0000    0.0000
 4     -0.0774   -0.0774       -0.0006   -0.0006       -1.7100   -1.7100
 5      0.0145    0.0145       43.6063   43.6063        0.0006    0.0006
 6    -41.8963  -41.8963       -0.0145   -0.0145        0.0774    0.0774
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0248    0.0000       -0.5092   -0.1032       -0.0088    0.0194
 2      0.4075    0.1032        0.0669    0.0008        2.5456    2.2800
 3      0.0348   -0.0194      -58.2004  -58.1417        0.0738   -0.0008
 4     -0.0609   -0.0008       -0.3050    0.0000       -0.0188   -0.0194
 5     55.8594   55.8618       -0.0837    0.0194       -0.0031   -0.1032
 6     -0.0334    0.0008        0.0787    0.1032        0.0395    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0043    0.0000        4.0486    3.5753       -0.4721   -0.2185
 2     -5.2517   -3.5753       -0.0811   -0.1147       -9.2778   -7.5488
 3     -0.1866    0.2185      -11.2033  -11.1712       -0.4187    0.1147
 4     -0.0800    0.1147       -0.2278    0.0000        0.2477    0.2185
 5     18.6654   18.7200        0.0139   -0.2185        4.1880    3.5753
 6      0.0042   -0.1147       -3.7444   -3.5753        0.1699    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.5688    6.4681       84.0602   83.6063       -0.3597   -0.2978
 2      6.6612    6.6012       89.1782   88.9117       -0.5005   -0.2978
 3      6.6703    6.6012       83.4738   83.6063       -0.5160   -0.3210
 4     -6.9695   -5.3053        0.0112   -0.1331        1.8274    3.2517
 5     -0.4159   -0.0233      -30.3382  -30.3185       -0.5088    0.1331
 6     26.7797   27.0668        0.3646    0.0233        5.3163    5.3053
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.4836  -11.2898   -6.5340   -0.0004   -0.0003   -0.0002
 Low frequencies ---   84.2247   87.9363  101.8202
 Diagonal vibrational polarizability:
       14.0892078      12.8852557      13.4777204
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     84.1902                87.9342               101.7887
 Red. masses --      2.9562                 2.9808                 2.8609
 Frc consts  --      0.0123                 0.0136                 0.0175
 IR Inten    --      0.0095                 0.0097                 0.0472
 RamAct Fr= 1--      1.0020                 0.9285                 0.1421
  Dep-P Fr= 1--      0.7488                 0.7500                 0.7493
  Dep-U Fr= 1--      0.8564                 0.8571                 0.8567
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1430                 0.1326                 0.0203
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4454                -0.2451                 0.0623
 Delta2 Fr= 1--     -0.0414                -0.0389                -0.0077
 Raman1 Fr= 1--       4.008                  3.714                  0.568
 ROA1   Fr= 1--     -44.078                -24.772                  5.731
 CID1   Fr= 1--     -10.998                 -6.670                 10.085
 Raman2 Fr= 1--       1.716                  1.592                  0.243
 ROA2   Fr= 1--     -10.358                 -5.571                  1.556
 CID2   Fr= 1--      -6.036                 -3.500                  6.391
 Raman3 Fr= 1--       3.432                  3.183                  0.487
 ROA3   Fr= 1--     -44.078                -24.772                  5.731
 CID3   Fr= 1--     -12.843                 -7.782                 11.772
 RC180  Fr= 1--       0.713                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04   0.01    -0.11   0.15   0.08     0.07   0.03  -0.09
     2   6    -0.08   0.09   0.01    -0.02   0.18   0.08    -0.03  -0.03  -0.09
     3   7    -0.08   0.00   0.01     0.01  -0.02  -0.05    -0.05   0.02   0.02
     4  45    -0.02  -0.04   0.01     0.03  -0.02  -0.01     0.01   0.00   0.06
     5   7     0.03  -0.02   0.04     0.07   0.01  -0.03    -0.06  -0.02   0.02
     6   6     0.07   0.19  -0.08     0.06  -0.02   0.03    -0.03   0.03  -0.09
     7   6     0.15   0.14  -0.08     0.00  -0.04   0.03     0.06  -0.04  -0.08
     8   7    -0.03   0.01   0.04     0.01  -0.03   0.02     0.03  -0.09   0.03
     9   7     0.01  -0.02  -0.03     0.03   0.03  -0.02     0.03   0.08   0.04
    10   7     0.04  -0.06   0.02     0.00   0.02   0.02     0.05  -0.04   0.02
    11   6     0.08  -0.07   0.03    -0.14   0.04  -0.02    -0.11   0.04  -0.12
    12   1     0.17   0.29  -0.14    -0.01  -0.07   0.08     0.08  -0.01  -0.14
    13   1     0.31   0.04  -0.09    -0.04  -0.04   0.00     0.12  -0.09  -0.10
    14   1     0.20   0.27  -0.14     0.05  -0.02   0.03    -0.01   0.06  -0.15
    15   1    -0.09   0.29  -0.10     0.09  -0.02   0.06    -0.10   0.07  -0.09
    16   1    -0.15   0.13   0.04    -0.13   0.25   0.14    -0.00  -0.07  -0.16
    17   1    -0.03   0.14  -0.01     0.13   0.26   0.11    -0.10  -0.08  -0.09
    18   1    -0.07   0.10   0.00    -0.13   0.28   0.15     0.08  -0.00  -0.15
    19   1    -0.13  -0.00   0.04    -0.27   0.07   0.08     0.14   0.08  -0.10
    20   1     0.05   0.02  -0.09     0.12   0.11  -0.11     0.00   0.05   0.12
    21   1     0.04  -0.08  -0.03     0.04  -0.09  -0.02     0.03   0.19   0.03
    22   1    -0.14  -0.02  -0.01    -0.10  -0.06  -0.17    -0.02   0.03   0.09
    23   1    -0.07  -0.01   0.01     0.13  -0.12  -0.03    -0.14   0.06   0.02
    24   1     0.15  -0.07   0.16     0.06   0.01  -0.08    -0.03  -0.02   0.09
    25   1    -0.08  -0.11   0.03     0.12   0.05  -0.02    -0.14  -0.05   0.02
    26   1    -0.12   0.11   0.15     0.02  -0.04   0.02     0.01  -0.06   0.11
    27   1    -0.06  -0.12   0.03    -0.01  -0.03   0.01     0.02  -0.19   0.03
    28   6     0.07  -0.01  -0.01    -0.15  -0.07  -0.03    -0.11  -0.03  -0.12
    29   7    -0.02  -0.01  -0.02    -0.03  -0.07  -0.00     0.05   0.04   0.02
    30   1     0.03  -0.10   0.01     0.03   0.09   0.09     0.09  -0.01   0.14
    31   1     0.04  -0.04   0.02     0.06  -0.03  -0.02     0.14  -0.15  -0.05
    32   1     0.07  -0.12   0.05    -0.15   0.14  -0.00    -0.11   0.21  -0.12
    33   1     0.14  -0.07   0.04    -0.21   0.03  -0.04    -0.20  -0.02  -0.22
    34   1     0.09  -0.01   0.00    -0.24  -0.06  -0.06    -0.19   0.03  -0.21
    35   1     0.09   0.04  -0.03    -0.15  -0.17  -0.04    -0.12  -0.20  -0.11
    36   1    -0.04   0.02  -0.08    -0.01  -0.13   0.04     0.09   0.01   0.15
    37   1    -0.06  -0.04   0.00     0.00  -0.01  -0.02     0.15   0.15  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.5414               145.1794               163.0770
 Red. masses --      2.9263                 2.9334                 2.6836
 Frc consts  --      0.0360                 0.0364                 0.0420
 IR Inten    --      0.7408                 0.5929                 0.1302
 RamAct Fr= 1--      0.3319                 0.2183                 1.4501
  Dep-P Fr= 1--      0.7474                 0.7092                 0.7248
  Dep-U Fr= 1--      0.8555                 0.8299                 0.8405
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0006
 Beta2  Fr= 1--      0.0473                 0.0302                 0.2031
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0118
 Gamma2 Fr= 1--      1.3092                 1.0536                -2.6529
 Delta2 Fr= 1--      0.1969                 0.1272                -0.4410
 Raman1 Fr= 1--       1.328                  0.873                  5.800
 ROA1   Fr= 1--     131.983                105.216               -268.789
 CID1   Fr= 1--      99.415                120.480                -46.340
 Raman2 Fr= 1--       0.568                  0.362                  2.437
 ROA2   Fr= 1--      29.845                 24.269                -60.142
 CID2   Fr= 1--      52.558                 66.972                -24.673
 Raman3 Fr= 1--       1.136                  0.725                  4.875
 ROA3   Fr= 1--     131.983                105.216               -268.789
 CID3   Fr= 1--     116.213                145.176                -55.136
 RC180  Fr= 1--       0.711                  0.660                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.07    -0.06   0.09  -0.05    -0.07   0.07   0.01
     2   6     0.05  -0.10   0.06    -0.01  -0.06  -0.07     0.02  -0.09  -0.01
     3   7     0.07  -0.08  -0.03    -0.00  -0.10  -0.09     0.03  -0.07  -0.06
     4  45    -0.01   0.01   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     5   7     0.06   0.12  -0.08     0.05  -0.03   0.04    -0.04  -0.07   0.06
     6   6     0.04   0.11  -0.00     0.05   0.01   0.09    -0.02  -0.09   0.01
     7   6    -0.07  -0.06   0.02     0.02   0.07   0.08     0.07   0.07  -0.01
     8   7    -0.09  -0.09   0.09    -0.01   0.06   0.01     0.06   0.08  -0.08
     9   7    -0.08   0.03   0.08    -0.04   0.11   0.05    -0.06   0.09   0.08
    10   7     0.07  -0.05   0.00    -0.11  -0.04  -0.09     0.10   0.01   0.07
    11   6     0.07  -0.02  -0.05    -0.03  -0.01  -0.13     0.04  -0.00   0.08
    12   1    -0.10  -0.11   0.11     0.02   0.11   0.09     0.09   0.14  -0.08
    13   1    -0.13  -0.11  -0.11     0.03   0.08   0.11     0.13   0.11   0.12
    14   1     0.09   0.17  -0.09     0.07   0.01   0.13    -0.08  -0.15   0.10
    15   1     0.05   0.19   0.13     0.04   0.01   0.07    -0.01  -0.18  -0.11
    16   1     0.10  -0.13   0.02    -0.00  -0.09  -0.15     0.07  -0.15  -0.10
    17   1     0.06  -0.15   0.15    -0.00  -0.11   0.03     0.00  -0.18   0.11
    18   1    -0.07   0.02   0.14    -0.07   0.16  -0.00    -0.09   0.14   0.09
    19   1    -0.08   0.04  -0.01    -0.10   0.14  -0.15    -0.13   0.12  -0.12
    20   1    -0.07   0.02   0.16    -0.01   0.11   0.17    -0.03   0.09   0.18
    21   1    -0.15   0.08   0.07    -0.09   0.20   0.04    -0.11   0.17   0.07
    22   1     0.10  -0.05  -0.14    -0.01  -0.08  -0.18     0.06  -0.06  -0.13
    23   1     0.13  -0.16  -0.02     0.01  -0.20  -0.07     0.06  -0.14  -0.06
    24   1     0.08   0.09  -0.22     0.07  -0.03   0.05    -0.06  -0.05   0.13
    25   1     0.11   0.24  -0.06     0.08  -0.05   0.04    -0.06  -0.14   0.05
    26   1    -0.06  -0.08   0.23    -0.04   0.07  -0.02     0.03   0.09  -0.17
    27   1    -0.18  -0.19   0.08    -0.03   0.10   0.01     0.11   0.16  -0.07
    28   6     0.04   0.02  -0.12     0.07   0.00   0.07    -0.04  -0.00  -0.08
    29   7    -0.02   0.06  -0.06     0.13  -0.01   0.07    -0.09   0.01  -0.07
    30   1     0.08  -0.09   0.07    -0.14  -0.04  -0.20     0.12  -0.01   0.16
    31   1     0.12  -0.06  -0.03    -0.21  -0.07  -0.04     0.18   0.02   0.03
    32   1     0.03  -0.02  -0.01     0.08   0.03  -0.25    -0.05  -0.03   0.18
    33   1     0.12  -0.04  -0.07    -0.14  -0.03  -0.18     0.13   0.00   0.11
    34   1     0.00   0.05  -0.17     0.19  -0.01   0.10    -0.14   0.01  -0.11
    35   1     0.08  -0.01  -0.17    -0.04   0.04   0.19     0.05  -0.04  -0.18
    36   1    -0.03   0.09  -0.08     0.16   0.02   0.19    -0.11  -0.01  -0.15
    37   1    -0.04   0.09  -0.05     0.23  -0.03   0.01    -0.17   0.03  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    215.2628               217.8485               221.5678
 Red. masses --      2.8013                 2.7824                 2.9697
 Frc consts  --      0.0765                 0.0778                 0.0859
 IR Inten    --      4.4550                 5.9166                15.5955
 RamAct Fr= 1--      2.5958                 2.6868                 0.0907
  Dep-P Fr= 1--      0.7317                 0.7500                 0.7357
  Dep-U Fr= 1--      0.8451                 0.8571                 0.8477
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3656                 0.3838                 0.0128
 AlphaG Fr= 1--     -0.0049                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.8290                -0.6396                -0.1335
 Delta2 Fr= 1--      0.1454                 0.0744                -0.0292
 Raman1 Fr= 1--      10.383                 10.747                  0.363
 ROA1   Fr= 1--     -74.934                -59.019                -13.749
 CID1   Fr= 1--      -7.217                 -5.491                -37.911
 Raman2 Fr= 1--       4.387                  4.606                  0.154
 ROA2   Fr= 1--     -21.060                -15.945                 -2.970
 CID2   Fr= 1--      -4.800                 -3.462                -19.321
 Raman3 Fr= 1--       8.775                  9.212                  0.307
 ROA3   Fr= 1--     -74.934                -59.019                -13.749
 CID3   Fr= 1--      -8.540                 -6.407                -44.721
 RC180  Fr= 1--       0.690                  0.714                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01    -0.07  -0.08  -0.00     0.00   0.04  -0.04
     2   6    -0.09  -0.00  -0.01    -0.05  -0.01  -0.00    -0.01   0.03  -0.04
     3   7    -0.11   0.10   0.10    -0.04  -0.06  -0.06    -0.01  -0.10  -0.04
     4  45     0.00  -0.01  -0.00    -0.01   0.00   0.02     0.00  -0.00   0.07
     5   7     0.11   0.09  -0.09    -0.03   0.07  -0.06    -0.00   0.10  -0.04
     6   6     0.09  -0.00   0.01    -0.05   0.01   0.00    -0.01  -0.03  -0.04
     7   6    -0.01   0.00   0.01    -0.06   0.08  -0.00    -0.00  -0.03  -0.04
     8   7     0.06   0.07  -0.08     0.00   0.13  -0.05     0.11   0.03  -0.04
     9   7    -0.06   0.08   0.09    -0.00  -0.12  -0.05     0.10  -0.03  -0.04
    10   7     0.02  -0.07  -0.02     0.14  -0.03   0.08    -0.12  -0.06  -0.04
    11   6     0.01  -0.10   0.02     0.02   0.03  -0.02     0.02  -0.06  -0.04
    12   1    -0.04  -0.07   0.10    -0.06   0.04   0.00     0.00  -0.12  -0.03
    13   1    -0.12   0.06  -0.01    -0.11   0.13   0.03    -0.08   0.01  -0.03
    14   1     0.04  -0.03   0.05    -0.09  -0.03   0.07    -0.10  -0.07  -0.04
    15   1     0.18  -0.04   0.05     0.02  -0.05  -0.03     0.07  -0.08  -0.03
    16   1    -0.04  -0.04  -0.05    -0.09   0.03   0.06    -0.10   0.07  -0.04
    17   1    -0.19  -0.04  -0.05     0.01   0.05  -0.03     0.07   0.07  -0.03
    18   1     0.04  -0.07  -0.10    -0.06  -0.04  -0.00     0.01   0.12  -0.04
    19   1     0.13   0.06   0.01    -0.11  -0.12   0.03    -0.07  -0.01  -0.03
    20   1    -0.08   0.03   0.24    -0.00  -0.10  -0.16     0.12   0.01  -0.17
    21   1    -0.13   0.21   0.07     0.06  -0.20  -0.04     0.21  -0.12  -0.02
    22   1    -0.08   0.10   0.26    -0.06  -0.06  -0.16    -0.05  -0.11  -0.18
    23   1    -0.19   0.25   0.08     0.01  -0.16  -0.04     0.01  -0.25  -0.02
    24   1     0.08   0.09  -0.25    -0.06   0.07  -0.17    -0.05   0.11  -0.18
    25   1     0.20   0.23  -0.07     0.02   0.17  -0.05     0.02   0.25  -0.02
    26   1     0.08   0.03  -0.23     0.01   0.10  -0.17     0.13  -0.01  -0.18
    27   1     0.13   0.19  -0.07     0.07   0.21  -0.04     0.22   0.12  -0.02
    28   6    -0.01  -0.10  -0.02     0.02  -0.04  -0.02     0.02   0.06  -0.04
    29   7    -0.02  -0.07   0.02     0.14   0.02   0.08    -0.12   0.06  -0.04
    30   1     0.02  -0.07  -0.01     0.18  -0.05   0.25    -0.16  -0.09  -0.18
    31   1     0.02  -0.05  -0.02     0.28  -0.08  -0.01    -0.25  -0.06   0.04
    32   1    -0.02  -0.14   0.05     0.02   0.18  -0.02     0.02  -0.15  -0.04
    33   1     0.04  -0.08   0.06    -0.06  -0.01  -0.10     0.10  -0.07  -0.03
    34   1    -0.05  -0.08  -0.06    -0.06   0.01  -0.10     0.09   0.06  -0.05
    35   1     0.01  -0.13  -0.05     0.01  -0.18  -0.02     0.03   0.14  -0.05
    36   1    -0.02  -0.08   0.01     0.18   0.04   0.25    -0.16   0.09  -0.18
    37   1    -0.03  -0.06   0.02     0.28   0.07  -0.00    -0.25   0.07   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    249.8713               290.3703               302.3422
 Red. masses --      4.7062                 2.0253                 2.0123
 Frc consts  --      0.1731                 0.1006                 0.1084
 IR Inten    --      0.0317                 1.6767                 1.5088
 RamAct Fr= 1--     16.0592                 0.8846                 1.8589
  Dep-P Fr= 1--      0.0746                 0.7469                 0.5169
  Dep-U Fr= 1--      0.1388                 0.8551                 0.6815
 Alpha2 Fr= 1--      0.2991                 0.0000                 0.0085
 Beta2  Fr= 1--      0.3716                 0.1261                 0.2111
 AlphaG Fr= 1--      0.3643                -0.0001                -0.0317
 Gamma2 Fr= 1--      8.0970                 0.3799                -1.4772
 Delta2 Fr= 1--      0.2210                -0.1679                -0.2726
 Raman1 Fr= 1--      64.237                  3.538                  7.436
 ROA1   Fr= 1--     784.386                 31.102               -150.535
 CID1   Fr= 1--      12.211                  8.790                -20.245
 Raman2 Fr= 1--       4.459                  1.513                  2.534
 ROA2   Fr= 1--     192.560                 10.461                -33.273
 CID2   Fr= 1--      43.186                  6.915                -13.132
 Raman3 Fr= 1--       8.918                  3.026                  5.067
 ROA3   Fr= 1--     784.386                 31.102               -150.535
 CID3   Fr= 1--      87.958                 10.280                -29.707
 RC180  Fr= 1--      -0.722                  0.710                  0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.09   0.01    -0.11   0.04   0.00    -0.10   0.04   0.01
     2   6    -0.16  -0.08   0.00    -0.04  -0.11  -0.01     0.01  -0.09  -0.00
     3   7    -0.15  -0.00  -0.01    -0.04   0.03   0.02     0.01   0.07   0.01
     4  45     0.00  -0.00   0.00     0.04  -0.00   0.00     0.00   0.04   0.00
     5   7     0.15  -0.01   0.01    -0.04  -0.04   0.03    -0.01   0.07  -0.01
     6   6     0.16  -0.09  -0.00    -0.03   0.12  -0.01    -0.02  -0.08   0.00
     7   6     0.14  -0.10  -0.01    -0.11  -0.04   0.00     0.09   0.03  -0.01
     8   7     0.09  -0.11  -0.03     0.05   0.04  -0.00    -0.03  -0.04   0.06
     9   7    -0.09  -0.11   0.03     0.04  -0.04   0.00     0.03  -0.04  -0.06
    10   7    -0.01   0.12   0.05    -0.00   0.03  -0.02     0.01  -0.04  -0.04
    11   6    -0.01   0.18  -0.02    -0.00   0.01   0.01    -0.01  -0.06  -0.02
    12   1     0.13  -0.05   0.02    -0.14  -0.24   0.10     0.12   0.17  -0.12
    13   1     0.16  -0.11  -0.01    -0.30  -0.00  -0.12     0.25  -0.01   0.09
    14   1     0.09  -0.12  -0.01     0.12   0.23  -0.13    -0.16  -0.18   0.09
    15   1     0.20  -0.12   0.00    -0.15   0.27   0.10     0.08  -0.21  -0.09
    16   1    -0.10  -0.11   0.01     0.09  -0.21  -0.12     0.16  -0.20  -0.10
    17   1    -0.20  -0.11  -0.00    -0.15  -0.24   0.09    -0.11  -0.23   0.10
    18   1    -0.14  -0.05  -0.02    -0.12   0.22   0.09    -0.13   0.20   0.13
    19   1    -0.17  -0.11   0.01    -0.27   0.01  -0.10    -0.28   0.01  -0.10
    20   1    -0.08  -0.10   0.03     0.11   0.02  -0.08     0.07   0.02  -0.23
    21   1    -0.09  -0.11   0.03     0.08  -0.12   0.01     0.10  -0.19  -0.04
    22   1    -0.13   0.00   0.03     0.02   0.05   0.14     0.10   0.10   0.12
    23   1    -0.16   0.04  -0.02    -0.10   0.13   0.01    -0.05   0.16   0.00
    24   1     0.12  -0.00  -0.03     0.03  -0.06   0.17    -0.10   0.10  -0.11
    25   1     0.16   0.04   0.02    -0.12  -0.15   0.01     0.05   0.15  -0.00
    26   1     0.08  -0.10  -0.03     0.12  -0.03  -0.10    -0.06   0.02   0.22
    27   1     0.09  -0.11  -0.03     0.10   0.13   0.01    -0.10  -0.18   0.05
    28   6     0.02   0.18   0.02    -0.00  -0.01   0.00     0.01  -0.06   0.02
    29   7     0.01   0.12  -0.05    -0.00  -0.02  -0.02    -0.01  -0.04   0.04
    30   1    -0.01   0.13   0.04    -0.01   0.06  -0.07     0.02  -0.04  -0.02
    31   1    -0.03   0.07   0.05    -0.05   0.03   0.00     0.02  -0.05  -0.05
    32   1     0.02   0.25  -0.06    -0.00  -0.01   0.01     0.01  -0.06  -0.05
    33   1    -0.06   0.13  -0.10    -0.00   0.03   0.03    -0.04  -0.05  -0.01
    34   1     0.07   0.13   0.10    -0.01  -0.02   0.02     0.04  -0.05   0.01
    35   1    -0.01   0.25   0.06     0.00   0.01  -0.00    -0.01  -0.05   0.05
    36   1     0.01   0.13  -0.05    -0.01  -0.06  -0.07    -0.02  -0.05   0.01
    37   1     0.02   0.07  -0.05    -0.04  -0.02  -0.00    -0.03  -0.05   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    306.5561               330.0604               331.5285
 Red. masses --      1.8432                 3.0968                 3.1757
 Frc consts  --      0.1021                 0.1988                 0.2057
 IR Inten    --      0.7089                 6.2467                 7.4720
 RamAct Fr= 1--      1.2178                 2.2513                 2.1954
  Dep-P Fr= 1--      0.1689                 0.7480                 0.7497
  Dep-U Fr= 1--      0.2890                 0.8558                 0.8569
 Alpha2 Fr= 1--      0.0179                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0587                 0.3211                 0.3135
 AlphaG Fr= 1--      0.0603                -0.0019                -0.0002
 Gamma2 Fr= 1--      0.1475                -2.3823                -3.5001
 Delta2 Fr= 1--     -0.1217                -0.1223                -0.0889
 Raman1 Fr= 1--       4.871                  9.005                  8.781
 ROA1   Fr= 1--      10.269               -232.609               -338.858
 CID1   Fr= 1--       2.108                -25.831                -38.588
 Raman2 Fr= 1--       0.704                  3.854                  3.762
 ROA2   Fr= 1--       4.514                -56.196                -83.292
 CID2   Fr= 1--       6.413                -14.583                -22.137
 Raman3 Fr= 1--       1.408                  7.707                  7.525
 ROA3   Fr= 1--      10.269               -232.609               -338.858
 CID3   Fr= 1--       7.294                -30.181                -45.031
 RC180  Fr= 1--      -0.422                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.02  -0.06  -0.00    -0.02  -0.10   0.00
     2   6     0.02  -0.01   0.01     0.00   0.03  -0.00    -0.12   0.03   0.00
     3   7     0.01   0.01   0.04     0.02  -0.00  -0.09    -0.10  -0.06  -0.06
     4  45     0.00  -0.02  -0.00    -0.02   0.08   0.00     0.09   0.02  -0.00
     5   7    -0.01   0.01  -0.04     0.03  -0.03   0.10    -0.09   0.05  -0.00
     6   6    -0.02  -0.00  -0.01     0.06   0.03  -0.00    -0.11  -0.00   0.00
     7   6    -0.03   0.03  -0.01     0.03  -0.10   0.00    -0.01   0.06   0.00
     8   7    -0.03   0.03  -0.01     0.11  -0.04  -0.02    -0.03   0.02   0.09
     9   7     0.03   0.03   0.01    -0.08  -0.02  -0.02    -0.08  -0.03   0.10
    10   7     0.07  -0.04   0.05     0.06  -0.10  -0.01    -0.00   0.02  -0.06
    11   6    -0.04   0.06  -0.10    -0.03  -0.08  -0.06    -0.00  -0.01  -0.02
    12   1    -0.03   0.03  -0.01     0.00  -0.21   0.08     0.03   0.10  -0.11
    13   1    -0.03   0.04  -0.00    -0.09  -0.09  -0.08     0.08   0.04   0.06
    14   1    -0.03  -0.02   0.03     0.12   0.10  -0.13    -0.16  -0.05   0.05
    15   1     0.00  -0.03  -0.03    -0.02   0.14   0.07    -0.07  -0.07  -0.06
    16   1     0.03  -0.02  -0.03    -0.02   0.07   0.09    -0.20   0.11   0.11
    17   1    -0.01  -0.03   0.03     0.06   0.09  -0.04    -0.04   0.14  -0.09
    18   1     0.03   0.04   0.01    -0.02  -0.14  -0.02     0.02  -0.20  -0.14
    19   1     0.03   0.04  -0.00     0.04  -0.06   0.04     0.12  -0.08   0.10
    20   1     0.04   0.04   0.01    -0.14  -0.06  -0.05    -0.11  -0.09   0.30
    21   1     0.02   0.03   0.01    -0.06  -0.03  -0.02    -0.21   0.14   0.07
    22   1     0.02   0.00   0.10     0.01   0.01  -0.26    -0.17  -0.08  -0.18
    23   1    -0.01   0.06   0.03     0.09  -0.17  -0.07    -0.04  -0.20  -0.04
    24   1    -0.02   0.00  -0.10     0.07  -0.03   0.31    -0.15   0.08  -0.03
    25   1     0.01   0.06  -0.03    -0.07  -0.23   0.08    -0.08   0.09   0.00
    26   1    -0.04   0.04  -0.02     0.16  -0.10  -0.09    -0.02   0.05   0.28
    27   1    -0.02   0.03  -0.01     0.16   0.03  -0.02    -0.16  -0.13   0.07
    28   6     0.05   0.06   0.10     0.02  -0.08   0.06     0.01  -0.03   0.01
    29   7    -0.08  -0.04  -0.06    -0.06  -0.08   0.04    -0.04  -0.07  -0.05
    30   1     0.13  -0.04   0.24     0.10  -0.14   0.16    -0.02   0.07  -0.15
    31   1     0.23  -0.15  -0.05     0.20  -0.16  -0.09    -0.10   0.00  -0.01
    32   1     0.07   0.29  -0.23     0.03   0.02  -0.13     0.02  -0.02  -0.04
    33   1    -0.26  -0.02  -0.26    -0.15  -0.10  -0.11    -0.03   0.02   0.01
    34   1     0.26  -0.03   0.26     0.15  -0.09   0.09     0.04  -0.07   0.06
    35   1    -0.05   0.30   0.23    -0.04   0.01   0.14     0.00   0.03   0.02
    36   1    -0.13  -0.04  -0.25    -0.08  -0.08  -0.06    -0.08  -0.12  -0.21
    37   1    -0.25  -0.14   0.05    -0.13  -0.13   0.09    -0.19  -0.07   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    400.7955               402.0299               404.3493
 Red. masses --      4.4782                 3.7781                 4.5721
 Frc consts  --      0.4238                 0.3598                 0.4404
 IR Inten    --      1.4590                 0.4357                 1.8170
 RamAct Fr= 1--      0.7858                 4.0056                 3.4912
  Dep-P Fr= 1--      0.7491                 0.7435                 0.7500
  Dep-U Fr= 1--      0.8566                 0.8529                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.1122                 0.5694                 0.4987
 AlphaG Fr= 1--      0.0001                 0.0065                 0.0000
 Gamma2 Fr= 1--     -0.5629                 0.9734                -0.9836
 Delta2 Fr= 1--     -0.0487                 0.1202                 0.1627
 Raman1 Fr= 1--       3.143                 16.022                 13.965
 ROA1   Fr= 1--     -55.596                 97.291                -89.222
 CID1   Fr= 1--     -17.689                  6.072                 -6.389
 Raman2 Fr= 1--       1.346                  6.833                  5.985
 ROA2   Fr= 1--     -13.120                 22.400                -24.909
 CID2   Fr= 1--      -9.746                  3.278                 -4.162
 Raman3 Fr= 1--       2.692                 13.665                 11.970
 ROA3   Fr= 1--     -55.596                 97.291                -89.222
 CID3   Fr= 1--     -20.651                  7.120                 -7.454
 RC180  Fr= 1--       0.713                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.04     0.08   0.04   0.07    -0.09  -0.04  -0.05
     2   6     0.05   0.03  -0.04    -0.09  -0.06   0.06     0.05   0.03  -0.05
     3   7     0.05   0.09  -0.05    -0.10  -0.15   0.09     0.06   0.09  -0.04
     4  45    -0.02  -0.00   0.10    -0.00   0.07   0.00     0.08   0.00   0.04
     5   7     0.04  -0.07  -0.04     0.09  -0.15  -0.08     0.07  -0.12  -0.06
     6   6     0.04  -0.03  -0.03     0.08  -0.07  -0.06     0.06  -0.04  -0.06
     7   6    -0.03   0.01  -0.03    -0.07   0.04  -0.06    -0.10   0.05  -0.06
     8   7    -0.08  -0.01  -0.04    -0.14   0.01  -0.06    -0.18   0.01  -0.10
     9   7    -0.09   0.01  -0.05     0.15   0.00   0.07    -0.16  -0.01  -0.09
    10   7     0.06   0.18  -0.12    -0.02  -0.00   0.00    -0.06  -0.12   0.10
    11   6     0.08   0.12  -0.04     0.01  -0.01   0.00    -0.04  -0.07   0.02
    12   1    -0.05   0.06   0.02    -0.11   0.06   0.06    -0.15   0.10   0.08
    13   1    -0.02   0.00  -0.04    -0.10   0.02  -0.11    -0.13   0.04  -0.11
    14   1     0.08  -0.03   0.03     0.13  -0.09   0.08     0.11  -0.07   0.06
    15   1     0.03  -0.03  -0.04     0.09  -0.11  -0.11     0.07  -0.07  -0.10
    16   1     0.10   0.03   0.04    -0.14  -0.09  -0.09     0.09   0.05   0.05
    17   1     0.04   0.04  -0.05    -0.10  -0.11   0.12     0.06   0.05  -0.09
    18   1    -0.06  -0.07   0.03     0.13   0.07  -0.06    -0.14  -0.08   0.07
    19   1    -0.03  -0.00  -0.05     0.11   0.02   0.12    -0.12  -0.03  -0.10
    20   1    -0.15  -0.01  -0.12     0.13   0.03  -0.14    -0.19  -0.04  -0.02
    21   1    -0.01  -0.02  -0.03     0.27  -0.14   0.09    -0.23   0.04  -0.10
    22   1     0.11   0.12  -0.14    -0.11  -0.13  -0.10     0.06   0.08   0.05
    23   1     0.05  -0.00  -0.04    -0.07  -0.33   0.11    -0.01   0.15  -0.05
    24   1     0.09  -0.11  -0.15     0.11  -0.13   0.08     0.08  -0.10   0.06
    25   1     0.04   0.03  -0.02     0.06  -0.31  -0.11    -0.00  -0.20  -0.07
    26   1    -0.14   0.02  -0.14    -0.11   0.03   0.13    -0.20   0.05  -0.00
    27   1     0.02   0.03  -0.02    -0.24  -0.12  -0.08    -0.27  -0.05  -0.11
    28   6     0.07  -0.12  -0.04     0.00  -0.03  -0.01    -0.04   0.08   0.02
    29   7     0.05  -0.18  -0.12     0.03  -0.04  -0.02    -0.05   0.12   0.10
    30   1     0.01   0.22  -0.30    -0.02  -0.06   0.02    -0.08  -0.08   0.02
    31   1    -0.11   0.19  -0.02    -0.01  -0.00  -0.00    -0.14  -0.20   0.13
    32   1     0.13   0.15  -0.10     0.01  -0.02   0.01    -0.06  -0.07   0.04
    33   1    -0.08   0.20   0.03     0.02  -0.01   0.01     0.04  -0.14  -0.05
    34   1    -0.09  -0.19   0.03    -0.03  -0.04  -0.00     0.04   0.13  -0.05
    35   1     0.12  -0.15  -0.10     0.01  -0.04  -0.02    -0.06   0.07   0.04
    36   1    -0.00  -0.21  -0.30     0.03  -0.09  -0.05    -0.07   0.08   0.02
    37   1    -0.13  -0.18  -0.02     0.01  -0.04  -0.01    -0.13   0.20   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.5852               464.1120               503.6166
 Red. masses --      3.8719                 4.1367                 4.3001
 Frc consts  --      0.4839                 0.5250                 0.6426
 IR Inten    --      6.8792                 7.8452                 0.0002
 RamAct Fr= 1--      4.2985                 4.6186                45.0121
  Dep-P Fr= 1--      0.7500                 0.7338                 0.0016
  Dep-U Fr= 1--      0.8571                 0.8465                 0.0031
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.9966
 Beta2  Fr= 1--      0.6141                 0.6516                 0.0235
 AlphaG Fr= 1--     -0.0000                 0.0225                -0.1879
 Gamma2 Fr= 1--      1.0855                 1.2677                -0.2504
 Delta2 Fr= 1--      0.2203                 0.0696                 0.0969
 Raman1 Fr= 1--      17.194                 18.474                180.048
 ROA1   Fr= 1--     111.260                123.931                -20.939
 CID1   Fr= 1--       6.471                  6.708                 -0.116
 Raman2 Fr= 1--       7.369                  7.819                  0.282
 ROA2   Fr= 1--      24.290                 29.869                 -6.785
 CID2   Fr= 1--       3.296                  3.820                -24.081
 Raman3 Fr= 1--      14.737                 15.638                  0.563
 ROA3   Fr= 1--     111.260                123.931                -20.939
 CID3   Fr= 1--       7.549                  7.925                -37.159
 RC180  Fr= 1--       0.714                  0.693                 -0.994
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.01   0.01  -0.01     0.00  -0.02   0.01
     2   6     0.02  -0.02   0.02     0.04   0.00  -0.01    -0.02   0.01  -0.00
     3   7    -0.03  -0.18   0.18     0.01  -0.03   0.07     0.02   0.14  -0.15
     4  45     0.03   0.00  -0.01    -0.00   0.03   0.00     0.00   0.00  -0.00
     5   7    -0.02   0.17   0.17    -0.01  -0.05  -0.09    -0.02   0.14   0.15
     6   6     0.01   0.02   0.02    -0.04   0.00   0.00     0.02   0.01   0.00
     7   6     0.02  -0.04   0.01     0.01   0.01   0.01    -0.00  -0.02  -0.01
     8   7    -0.10  -0.06  -0.15     0.12   0.04   0.13    -0.14  -0.05  -0.15
     9   7    -0.11   0.07  -0.16    -0.11   0.04  -0.11     0.14  -0.06   0.15
    10   7     0.01   0.02   0.01    -0.15  -0.10   0.21    -0.09  -0.08   0.15
    11   6     0.02   0.04  -0.01     0.00   0.02   0.04     0.00   0.01   0.02
    12   1    -0.01   0.08   0.07     0.04  -0.08  -0.07    -0.04   0.11   0.06
    13   1     0.05  -0.06   0.01    -0.00   0.04   0.03     0.03  -0.05  -0.02
    14   1    -0.11   0.01  -0.10     0.03   0.02   0.04    -0.11  -0.03  -0.07
    15   1     0.04   0.02   0.05    -0.04   0.01   0.00     0.06  -0.02   0.00
    16   1    -0.12   0.00  -0.10    -0.01   0.02  -0.03     0.10  -0.03   0.07
    17   1     0.05  -0.02   0.05     0.04   0.01  -0.01    -0.06  -0.02  -0.00
    18   1    -0.02  -0.09   0.07    -0.05  -0.07   0.06     0.04   0.10  -0.06
    19   1     0.05   0.06   0.00     0.00   0.03  -0.03    -0.04  -0.05   0.02
    20   1    -0.14   0.06  -0.26    -0.15   0.03  -0.16     0.15  -0.06   0.20
    21   1    -0.13  -0.06  -0.17    -0.10  -0.02  -0.11     0.12   0.02   0.14
    22   1    -0.08  -0.21   0.30     0.01  -0.04   0.11     0.03   0.15  -0.19
    23   1    -0.12  -0.09   0.17    -0.05  -0.02   0.07     0.10   0.09  -0.15
    24   1    -0.07   0.21   0.28    -0.00  -0.06  -0.15    -0.02   0.15   0.20
    25   1    -0.11   0.09   0.16     0.07  -0.03  -0.09    -0.09   0.10   0.15
    26   1    -0.13  -0.05  -0.25     0.16   0.03   0.19    -0.15  -0.05  -0.20
    27   1    -0.11   0.07  -0.15     0.12  -0.04   0.13    -0.12   0.03  -0.15
    28   6     0.02  -0.03  -0.01    -0.01   0.03  -0.04    -0.00   0.01  -0.02
    29   7     0.02  -0.03  -0.01     0.14  -0.11  -0.21     0.09  -0.09  -0.15
    30   1    -0.01   0.03  -0.08    -0.19  -0.20   0.12    -0.13  -0.10   0.03
    31   1    -0.07  -0.00   0.05    -0.22  -0.14   0.25    -0.18  -0.10   0.20
    32   1     0.05   0.09  -0.04    -0.01   0.06   0.05    -0.00   0.06   0.02
    33   1    -0.04   0.02  -0.04     0.07  -0.10  -0.11     0.03  -0.08  -0.09
    34   1    -0.05  -0.03  -0.03    -0.07  -0.09   0.11    -0.03  -0.08   0.09
    35   1     0.05  -0.08  -0.04     0.01   0.07  -0.05     0.00   0.06  -0.02
    36   1     0.00  -0.05  -0.09     0.18  -0.20  -0.11     0.13  -0.10  -0.03
    37   1    -0.05  -0.01   0.03     0.23  -0.15  -0.26     0.17  -0.11  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    534.0340               543.7142               558.9321
 Red. masses --      1.6472                 1.7309                 1.8293
 Frc consts  --      0.2768                 0.3015                 0.3367
 IR Inten    --      2.3516                 2.1009                 3.5653
 RamAct Fr= 1--      0.0966                 0.2890                 0.3269
  Dep-P Fr= 1--      0.7499                 0.7500                 0.6709
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8031
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.0138                 0.0413                 0.0438
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0055
 Gamma2 Fr= 1--     -0.2573                 0.5794                -1.0603
 Delta2 Fr= 1--     -0.0479                 0.2972                -0.1912
 Raman1 Fr= 1--       0.386                  1.156                  1.308
 ROA1   Fr= 1--     -26.239                 65.131               -107.903
 CID1   Fr= 1--     -67.920                 56.348                -82.512
 Raman2 Fr= 1--       0.166                  0.495                  0.525
 ROA2   Fr= 1--      -5.793                 11.527                -23.916
 CID2   Fr= 1--     -34.991                 23.271                -45.547
 Raman3 Fr= 1--       0.331                  0.991                  1.050
 ROA3   Fr= 1--     -26.239                 65.131               -107.903
 CID3   Fr= 1--     -79.249                 65.742               -102.748
 RC180  Fr= 1--       0.714                  0.714                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.06    -0.00  -0.00   0.00     0.05   0.04   0.06
     2   6     0.06   0.03  -0.06     0.00   0.00  -0.00    -0.05  -0.02   0.06
     3   7     0.03  -0.05   0.05     0.00   0.00  -0.01    -0.02   0.06  -0.07
     4  45    -0.01  -0.00  -0.00    -0.01  -0.00  -0.02    -0.00  -0.03   0.00
     5   7     0.03   0.05   0.06     0.00  -0.00  -0.01     0.02   0.05   0.07
     6   6     0.06  -0.03  -0.06     0.00  -0.00  -0.00     0.05  -0.02  -0.06
     7   6    -0.05   0.03  -0.06    -0.00   0.00  -0.00    -0.05   0.04  -0.06
     8   7     0.02   0.04   0.05     0.02   0.01   0.02     0.04   0.05   0.07
     9   7     0.02  -0.04   0.04     0.02  -0.01   0.02    -0.04   0.05  -0.07
    10   7     0.00   0.02  -0.02    -0.05  -0.00   0.10     0.00   0.01  -0.00
    11   6     0.00   0.00   0.00     0.08   0.08  -0.02    -0.00   0.00   0.00
    12   1    -0.10  -0.15   0.09     0.00  -0.04   0.00    -0.09  -0.18   0.09
    13   1    -0.23   0.05  -0.19    -0.02   0.01  -0.01    -0.25   0.07  -0.20
    14   1    -0.10  -0.16   0.09    -0.01  -0.02   0.02    -0.13  -0.16   0.10
    15   1     0.17  -0.19  -0.18     0.02  -0.02  -0.02     0.16  -0.20  -0.20
    16   1    -0.09   0.15   0.08    -0.01   0.02   0.02     0.12  -0.17  -0.10
    17   1     0.17   0.17  -0.17     0.02   0.02  -0.01    -0.18  -0.20   0.21
    18   1    -0.09   0.15   0.09     0.00   0.03  -0.00     0.09  -0.19  -0.10
    19   1    -0.22  -0.04  -0.19    -0.02  -0.01  -0.01     0.26   0.06   0.21
    20   1     0.06  -0.05   0.25     0.02  -0.01   0.05    -0.04   0.08  -0.21
    21   1    -0.06   0.15   0.03    -0.00   0.02   0.02    -0.01  -0.11  -0.06
    22   1     0.01  -0.08   0.24    -0.02  -0.02   0.09    -0.03   0.07  -0.22
    23   1    -0.09   0.11   0.03     0.01   0.11  -0.03     0.11  -0.07  -0.05
    24   1     0.02   0.09   0.25    -0.01   0.02   0.10     0.03   0.07   0.21
    25   1    -0.10  -0.11   0.04    -0.00  -0.11  -0.03    -0.11  -0.06   0.05
    26   1     0.06   0.05   0.25     0.03   0.01   0.06     0.04   0.07   0.20
    27   1    -0.07  -0.15   0.03    -0.00  -0.02   0.02     0.01  -0.11   0.06
    28   6     0.00  -0.00   0.00     0.08  -0.08  -0.02    -0.00   0.00   0.00
    29   7     0.00  -0.02  -0.02    -0.05   0.00   0.10    -0.00   0.01   0.00
    30   1     0.02  -0.03   0.07    -0.13  -0.06  -0.15    -0.01   0.03  -0.05
    31   1     0.09   0.04  -0.07    -0.26  -0.01   0.22    -0.04  -0.00   0.02
    32   1    -0.01  -0.03   0.01     0.22   0.33  -0.19    -0.00   0.00   0.00
    33   1     0.02   0.02   0.03    -0.21  -0.01  -0.21    -0.00   0.00   0.00
    34   1     0.02  -0.02   0.03    -0.21   0.02  -0.21     0.01   0.00  -0.00
    35   1    -0.00   0.03   0.01     0.21  -0.34  -0.19    -0.00   0.01   0.00
    36   1     0.03   0.03   0.07    -0.13   0.07  -0.14     0.01   0.03   0.05
    37   1     0.09  -0.05  -0.07    -0.26   0.03   0.22     0.04  -0.00  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    680.5897               686.1545               714.9917
 Red. masses --      1.3007                 1.3081                 1.2854
 Frc consts  --      0.3550                 0.3629                 0.3871
 IR Inten    --      1.8806                 0.8007                 1.2751
 RamAct Fr= 1--      1.4282                 0.0130                 0.8882
  Dep-P Fr= 1--      0.0360                 0.7155                 0.6442
  Dep-U Fr= 1--      0.0694                 0.8341                 0.7836
 Alpha2 Fr= 1--      0.0292                 0.0000                 0.0017
 Beta2  Fr= 1--      0.0165                 0.0018                 0.1160
 AlphaG Fr= 1--      0.0181                -0.0000                 0.0880
 Gamma2 Fr= 1--      1.1756                 0.6168                -4.1153
 Delta2 Fr= 1--     -0.1152                -0.0281                 0.1601
 Raman1 Fr= 1--       5.713                  0.052                  3.553
 ROA1   Fr= 1--     109.172                 58.318               -389.950
 CID1   Fr= 1--      19.109               1121.079               -109.764
 Raman2 Fr= 1--       0.198                  0.022                  1.392
 ROA2   Fr= 1--      29.136                 15.029               -100.049
 CID2   Fr= 1--     146.882                692.726                -71.877
 Raman3 Fr= 1--       0.397                  0.043                  2.784
 ROA3   Fr= 1--     109.172                 58.318               -389.950
 CID3   Fr= 1--     275.182               1344.004               -140.074
 RC180  Fr= 1--      -0.861                  0.668                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.01   0.00  -0.02    -0.01  -0.00   0.01
     2   6    -0.00   0.00  -0.02     0.02   0.01   0.00     0.00  -0.01  -0.01
     3   7     0.02   0.00  -0.02    -0.02   0.04   0.07     0.01  -0.03  -0.04
     4  45    -0.00  -0.01  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
     5   7    -0.02   0.00   0.02    -0.02  -0.04   0.07    -0.01  -0.03   0.03
     6   6     0.00   0.00   0.02     0.01  -0.01   0.00    -0.00  -0.01   0.01
     7   6     0.01  -0.00   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   7     0.03   0.02  -0.06     0.02   0.03  -0.04     0.02   0.03  -0.04
     9   7    -0.03   0.02   0.05     0.02  -0.03  -0.04    -0.02   0.03   0.04
    10   7    -0.07   0.01  -0.02    -0.01  -0.01   0.01     0.06  -0.01   0.02
    11   6    -0.01   0.01   0.00     0.01   0.01   0.01     0.01  -0.02  -0.00
    12   1     0.00  -0.06   0.05    -0.02  -0.07   0.06    -0.01  -0.05   0.03
    13   1    -0.06   0.04   0.00    -0.09   0.03  -0.06    -0.06   0.04  -0.01
    14   1     0.01   0.02  -0.03     0.06   0.03  -0.05     0.06   0.04  -0.04
    15   1    -0.03   0.03   0.04    -0.07   0.05   0.00    -0.08   0.06   0.04
    16   1    -0.01   0.02   0.03     0.06  -0.04  -0.05    -0.05   0.04   0.04
    17   1     0.02   0.03  -0.04    -0.07  -0.05   0.00     0.08   0.06  -0.04
    18   1    -0.00  -0.06  -0.04    -0.01   0.08   0.06     0.01  -0.05  -0.03
    19   1     0.06   0.03  -0.00    -0.09  -0.03  -0.06     0.07   0.04   0.01
    20   1    -0.11   0.03  -0.28     0.08  -0.04   0.24    -0.08   0.04  -0.24
    21   1     0.28  -0.16   0.11    -0.21   0.15  -0.09     0.21  -0.16   0.09
    22   1     0.00  -0.01   0.06     0.05   0.13  -0.35    -0.00  -0.07   0.22
    23   1    -0.03   0.07  -0.03    -0.01  -0.38   0.14    -0.03   0.23  -0.08
    24   1     0.00  -0.02  -0.09     0.04  -0.13  -0.35    -0.00  -0.07  -0.21
    25   1     0.03   0.09   0.03     0.01   0.39   0.14     0.04   0.22   0.08
    26   1     0.12   0.03   0.30     0.08   0.03   0.22     0.08   0.03   0.24
    27   1    -0.30  -0.15  -0.11    -0.20  -0.14  -0.08    -0.21  -0.15  -0.09
    28   6     0.01   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.00
    29   7     0.07   0.01   0.02    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    30   1     0.00  -0.14   0.32    -0.01   0.00  -0.01    -0.00   0.13  -0.29
    31   1     0.25   0.09  -0.19    -0.02   0.02   0.02    -0.23  -0.05   0.18
    32   1    -0.02  -0.09   0.02     0.04   0.05  -0.03     0.03   0.09  -0.02
    33   1     0.07   0.03   0.04    -0.05  -0.01  -0.03    -0.08  -0.03  -0.04
    34   1    -0.07   0.03  -0.04    -0.05   0.01  -0.02     0.08  -0.03   0.04
    35   1     0.02  -0.10  -0.02     0.04  -0.05  -0.03    -0.02   0.09   0.02
    36   1    -0.01  -0.14  -0.32    -0.01   0.01   0.01     0.01   0.13   0.29
    37   1    -0.24   0.09   0.19    -0.00  -0.02   0.00     0.23  -0.06  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    742.5321               745.3809               767.8988
 Red. masses --      1.4607                 1.3937                 1.4360
 Frc consts  --      0.4745                 0.4562                 0.4989
 IR Inten    --      9.6791                 2.4171                16.6214
 RamAct Fr= 1--      0.0498                 0.9898                 0.5865
  Dep-P Fr= 1--      0.7495                 0.6054                 0.7494
  Dep-U Fr= 1--      0.8568                 0.7542                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0026                 0.0000
 Beta2  Fr= 1--      0.0071                 0.1244                 0.0837
 AlphaG Fr= 1--      0.0000                 0.0076                -0.0000
 Gamma2 Fr= 1--     -0.7956                 4.2879                 1.2913
 Delta2 Fr= 1--      0.0156                -0.0220                -0.0300
 Raman1 Fr= 1--       0.199                  3.959                  2.346
 ROA1   Fr= 1--     -75.878                410.933                123.009
 CID1   Fr= 1--    -380.820                103.788                 52.436
 Raman2 Fr= 1--       0.085                  1.493                  1.005
 ROA2   Fr= 1--     -19.219                103.085                 31.232
 CID2   Fr= 1--    -225.150                 69.043                 31.080
 Raman3 Fr= 1--       0.171                  2.986                  2.010
 ROA3   Fr= 1--     -75.878                410.933                123.009
 CID3   Fr= 1--    -444.449                137.615                 61.204
 RC180  Fr= 1--       0.714                  0.508                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.01   0.01   0.03    -0.02  -0.02  -0.02
     2   6    -0.03   0.01   0.02    -0.03  -0.01   0.02     0.01  -0.01  -0.02
     3   7     0.01  -0.01  -0.03     0.00  -0.06  -0.07    -0.00   0.02   0.04
     4  45     0.01  -0.00   0.02     0.00   0.01   0.00     0.02  -0.00  -0.01
     5   7     0.01   0.01  -0.04    -0.00  -0.06   0.07    -0.00  -0.02   0.04
     6   6    -0.03  -0.01   0.02     0.02  -0.01  -0.02     0.01   0.01  -0.02
     7   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.02   0.02  -0.02
     8   7     0.01   0.02  -0.05    -0.03  -0.01   0.04    -0.04  -0.03   0.06
     9   7     0.00  -0.02  -0.05     0.03  -0.01  -0.04    -0.04   0.03   0.06
    10   7    -0.08   0.03  -0.01    -0.03   0.00  -0.01    -0.06  -0.00  -0.01
    11   6     0.04   0.02  -0.01    -0.01  -0.00  -0.00     0.03   0.02   0.02
    12   1     0.02   0.04  -0.06    -0.03  -0.01   0.05    -0.03   0.03   0.01
    13   1     0.06   0.01   0.12    -0.05  -0.01  -0.12    -0.00  -0.03  -0.09
    14   1     0.04   0.05  -0.07     0.05  -0.01   0.01    -0.01  -0.03   0.06
    15   1    -0.05   0.07   0.12    -0.04  -0.01  -0.10     0.02  -0.05  -0.12
    16   1     0.04  -0.05  -0.07    -0.05  -0.00  -0.01    -0.01   0.03   0.06
    17   1    -0.05  -0.07   0.11     0.03  -0.01   0.10     0.02   0.05  -0.12
    18   1     0.02  -0.04  -0.06     0.03  -0.02  -0.05    -0.03  -0.03   0.01
    19   1     0.05  -0.01   0.11     0.05  -0.01   0.12     0.00   0.03  -0.10
    20   1     0.09  -0.00   0.17     0.09  -0.00   0.17    -0.12   0.04  -0.28
    21   1    -0.17   0.09  -0.08    -0.21   0.08  -0.08     0.29  -0.16   0.12
    22   1    -0.05  -0.05   0.10    -0.04  -0.13   0.34     0.04   0.07  -0.15
    23   1     0.03   0.12  -0.05     0.03   0.41  -0.15    -0.03  -0.18   0.08
    24   1    -0.05   0.06   0.11     0.04  -0.13  -0.34     0.04  -0.07  -0.14
    25   1     0.02  -0.14  -0.06    -0.01   0.40   0.15    -0.02   0.18   0.07
    26   1     0.09  -0.00   0.17    -0.09  -0.00  -0.17    -0.12  -0.04  -0.28
    27   1    -0.18  -0.08  -0.09     0.21   0.08   0.08     0.29   0.15   0.12
    28   6     0.04  -0.02  -0.01     0.01  -0.01   0.00     0.02  -0.02   0.02
    29   7    -0.08  -0.03  -0.01     0.03  -0.00   0.00    -0.06   0.01  -0.01
    30   1    -0.02  -0.22   0.35     0.00  -0.05   0.13    -0.02  -0.15   0.23
    31   1     0.26   0.11  -0.20     0.09   0.02  -0.08     0.18   0.10  -0.14
    32   1     0.11   0.00  -0.09    -0.01  -0.05   0.00     0.12   0.05  -0.09
    33   1    -0.03   0.04   0.00     0.02   0.01   0.02    -0.08   0.00  -0.02
    34   1    -0.03  -0.04   0.00    -0.03   0.01  -0.02    -0.08  -0.00  -0.02
    35   1     0.11  -0.01  -0.09     0.01  -0.05  -0.01     0.12  -0.06  -0.09
    36   1    -0.01   0.22   0.35    -0.00  -0.04  -0.12    -0.01   0.15   0.23
    37   1     0.25  -0.12  -0.20    -0.08   0.01   0.07     0.18  -0.11  -0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2363               866.3049               867.6155
 Red. masses --      3.2179                 3.1894                 3.1366
 Frc consts  --      1.4226                 1.4103                 1.3911
 IR Inten    --     10.3393                10.1638                 0.0085
 RamAct Fr= 1--      1.2123                 0.9418                10.3003
  Dep-P Fr= 1--      0.7411                 0.7410                 0.0380
  Dep-U Fr= 1--      0.8513                 0.8512                 0.0732
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.2093
 Beta2  Fr= 1--      0.1720                 0.1336                 0.1257
 AlphaG Fr= 1--     -0.0005                 0.0012                -0.1416
 Gamma2 Fr= 1--      0.2392                 0.8076                -0.9643
 Delta2 Fr= 1--      0.4481                 0.6155                -1.9731
 Raman1 Fr= 1--       4.849                  3.767                 41.201
 ROA1   Fr= 1--      37.304                 97.220               -155.713
 CID1   Fr= 1--       7.693                 25.807                 -3.779
 Raman2 Fr= 1--       2.064                  1.603                  1.508
 ROA2   Fr= 1--       2.157                 14.458                 -7.359
 CID2   Fr= 1--       1.045                  9.017                 -4.880
 Raman3 Fr= 1--       4.128                  3.207                  3.016
 ROA3   Fr= 1--      37.304                 97.220               -155.713
 CID3   Fr= 1--       9.037                 30.318                -51.625
 RC180  Fr= 1--       0.703                  0.702                 -0.854
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.08     0.08   0.07   0.09     0.10   0.05   0.10
     2   6     0.09   0.05  -0.09     0.10   0.05  -0.09     0.12   0.03  -0.08
     3   7    -0.08  -0.01  -0.03    -0.08  -0.01  -0.04    -0.12   0.00  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.12   0.01  -0.05     0.03  -0.00   0.02     0.13  -0.00   0.05
     6   6     0.14  -0.07  -0.13    -0.03   0.02   0.03    -0.12   0.02   0.06
     7   6     0.11  -0.11   0.12    -0.03   0.02  -0.03    -0.10   0.04  -0.10
     8   7    -0.07   0.13   0.06     0.01  -0.03  -0.01     0.04  -0.04  -0.02
     9   7    -0.06  -0.09   0.05    -0.05  -0.09   0.04    -0.05  -0.06   0.03
    10   7    -0.00   0.01   0.00     0.03  -0.12  -0.08    -0.02   0.08   0.04
    11   6    -0.04  -0.04   0.03     0.13   0.15  -0.01    -0.09  -0.10   0.02
    12   1     0.03  -0.06   0.34    -0.01   0.02  -0.09    -0.01   0.10  -0.38
    13   1    -0.03  -0.05   0.08     0.01   0.01  -0.02     0.10   0.01   0.04
    14   1     0.10   0.01  -0.42    -0.02   0.00   0.09    -0.04   0.02   0.17
    15   1     0.01   0.08  -0.03    -0.00  -0.02   0.01    -0.04  -0.01   0.10
    16   1     0.07  -0.01  -0.30     0.07  -0.01  -0.30     0.06   0.01  -0.23
    17   1    -0.00  -0.06  -0.02     0.00  -0.06  -0.02     0.03  -0.03  -0.08
    18   1     0.03   0.04   0.22     0.03   0.04   0.24     0.02   0.09   0.36
    19   1    -0.01   0.04   0.06    -0.02   0.03   0.06    -0.08   0.02  -0.01
    20   1    -0.05  -0.07  -0.02    -0.04  -0.07   0.00    -0.07  -0.06  -0.01
    21   1    -0.08  -0.18   0.05    -0.10  -0.17   0.03    -0.11  -0.15   0.02
    22   1    -0.08  -0.01   0.01    -0.09  -0.02   0.03    -0.10   0.01  -0.03
    23   1    -0.18  -0.01  -0.03    -0.19   0.02  -0.04    -0.20  -0.01  -0.04
    24   1    -0.12   0.02   0.02     0.03  -0.01  -0.02     0.09   0.01   0.03
    25   1    -0.26   0.01  -0.05     0.06   0.02   0.02     0.19  -0.01   0.05
    26   1    -0.06   0.10  -0.02     0.01  -0.02  -0.01     0.06  -0.06   0.01
    27   1    -0.12   0.26   0.06     0.04  -0.05  -0.00     0.11  -0.13  -0.01
    28   6     0.03  -0.04   0.02    -0.12   0.16   0.03     0.08  -0.10  -0.01
    29   7     0.01   0.05  -0.04    -0.03  -0.11   0.07     0.03   0.08  -0.05
    30   1     0.01   0.06   0.02    -0.00  -0.25  -0.14     0.01   0.17   0.11
    31   1     0.01   0.03  -0.00    -0.02  -0.11  -0.06     0.03   0.05   0.01
    32   1     0.02   0.04  -0.03     0.08  -0.02   0.04    -0.05  -0.00  -0.03
    33   1    -0.17  -0.02   0.02     0.37   0.07  -0.08    -0.25  -0.04   0.06
    34   1     0.04  -0.02  -0.02    -0.41   0.09   0.08     0.22  -0.04  -0.06
    35   1     0.05  -0.03  -0.01    -0.06  -0.04  -0.05     0.06  -0.02   0.02
    36   1     0.01   0.07  -0.05    -0.00  -0.25   0.13     0.00   0.16  -0.13
    37   1     0.01   0.03  -0.03     0.02  -0.11   0.04    -0.03   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9118               872.6305               874.0421
 Red. masses --      2.5441                 2.4747                 2.5530
 Frc consts  --      1.1317                 1.1103                 1.1491
 IR Inten    --      2.0569                 0.0609                 3.0438
 RamAct Fr= 1--      2.0212                 3.2954                 0.4715
  Dep-P Fr= 1--      0.7248                 0.6212                 0.7467
  Dep-U Fr= 1--      0.8404                 0.7663                 0.8550
 Alpha2 Fr= 1--      0.0009                 0.0078                 0.0000
 Beta2  Fr= 1--      0.2831                 0.4209                 0.0672
 AlphaG Fr= 1--     -0.0005                -0.0007                 0.0000
 Gamma2 Fr= 1--      0.0692                -1.3818                 0.8064
 Delta2 Fr= 1--     -0.3690                -0.5011                 0.0749
 Raman1 Fr= 1--       8.085                 13.181                  1.886
 ROA1   Fr= 1--      -5.161               -148.692                 79.814
 CID1   Fr= 1--      -0.638                -11.280                 42.317
 Raman2 Fr= 1--       3.397                  5.051                  0.806
 ROA2   Fr= 1--       4.614                -29.155                 18.755
 CID2   Fr= 1--       1.358                 -5.773                 23.260
 Raman3 Fr= 1--       6.795                 10.101                  1.613
 ROA3   Fr= 1--      -5.161               -148.692                 79.814
 CID3   Fr= 1--      -0.760                -14.720                 49.493
 RC180  Fr= 1--       0.681                  0.533                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06  -0.07     0.03  -0.10   0.04     0.02  -0.06   0.03
     2   6    -0.07   0.06  -0.03     0.04  -0.09   0.07     0.02  -0.05   0.04
     3   7     0.12  -0.02   0.05    -0.10   0.02  -0.04    -0.06   0.00  -0.05
     4  45    -0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     5   7     0.12   0.01   0.05     0.09   0.02   0.05    -0.04   0.00  -0.04
     6   6    -0.06  -0.07  -0.04    -0.04  -0.09  -0.07     0.02   0.04   0.03
     7   6    -0.05  -0.07  -0.06    -0.03  -0.10  -0.04     0.01   0.04   0.03
     8   7    -0.03   0.09   0.05    -0.04   0.13   0.05     0.03  -0.04  -0.04
     9   7    -0.03  -0.07   0.04     0.05   0.12  -0.05     0.04   0.07  -0.05
    10   7     0.03  -0.08  -0.06    -0.01  -0.00  -0.00     0.02  -0.11  -0.11
    11   6    -0.01   0.01   0.08     0.02   0.03  -0.02    -0.02   0.01   0.14
    12   1     0.03   0.12  -0.33     0.03   0.09  -0.25    -0.01  -0.04   0.11
    13   1     0.17  -0.05   0.19     0.14  -0.03   0.22    -0.06   0.03  -0.05
    14   1     0.07   0.06  -0.25     0.12   0.08  -0.38    -0.05  -0.03   0.14
    15   1    -0.09   0.11   0.19    -0.12   0.15   0.21     0.07  -0.05  -0.05
    16   1     0.05  -0.05  -0.18    -0.11   0.08   0.37    -0.07   0.04   0.21
    17   1    -0.09  -0.09   0.18     0.13   0.14  -0.22     0.09   0.08  -0.09
    18   1     0.02  -0.12  -0.34    -0.03   0.09   0.26    -0.01   0.06   0.16
    19   1     0.16   0.04   0.17    -0.14  -0.02  -0.23    -0.09  -0.03  -0.09
    20   1     0.04  -0.01   0.02    -0.03   0.08  -0.09    -0.00   0.03   0.02
    21   1     0.07  -0.03   0.06     0.01   0.07  -0.05    -0.06   0.09  -0.07
    22   1     0.04  -0.05   0.06     0.01   0.07  -0.07    -0.00   0.01   0.03
    23   1     0.08  -0.04   0.06    -0.01   0.04  -0.05    -0.03   0.11  -0.07
    24   1     0.04   0.06   0.06    -0.01   0.07   0.06    -0.00  -0.00   0.04
    25   1     0.06   0.05   0.06     0.01   0.06   0.06    -0.03  -0.09  -0.06
    26   1     0.04   0.03   0.03     0.03   0.08   0.08     0.00  -0.01   0.03
    27   1     0.06   0.06   0.07     0.00   0.08   0.06    -0.07  -0.07  -0.06
    28   6    -0.02   0.01   0.08    -0.01   0.03  -0.01    -0.02  -0.01   0.14
    29   7     0.04   0.07  -0.05    -0.00  -0.03   0.03     0.03   0.11  -0.11
    30   1     0.03   0.03  -0.14    -0.00  -0.04   0.02     0.04  -0.02  -0.10
    31   1    -0.02   0.00  -0.02     0.01  -0.03  -0.02     0.04   0.00  -0.11
    32   1     0.11   0.13  -0.06    -0.02  -0.06   0.03     0.24   0.19  -0.15
    33   1    -0.22  -0.04  -0.01     0.13   0.03  -0.00    -0.41  -0.03   0.01
    34   1    -0.24   0.05  -0.01    -0.03   0.02   0.00    -0.42   0.05   0.01
    35   1     0.10  -0.13  -0.07    -0.03  -0.01   0.01     0.23  -0.21  -0.16
    36   1     0.03  -0.05  -0.13    -0.01  -0.04   0.01     0.04   0.01  -0.10
    37   1    -0.02  -0.01  -0.01    -0.02  -0.03   0.04     0.04  -0.01  -0.11
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.7040               983.0581               983.4969
 Red. masses --      2.1966                 2.2119                 2.2060
 Frc consts  --      1.2473                 1.2594                 1.2572
 IR Inten    --      6.4901                 1.4707                 1.9450
 RamAct Fr= 1--      1.2678                 2.2138                 3.8703
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7431
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8526
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.1811                 0.3163                 0.5500
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0027
 Gamma2 Fr= 1--     -0.2836                 0.2411                 2.3652
 Delta2 Fr= 1--     -0.5635                 0.0980                 0.9992
 Raman1 Fr= 1--       5.071                  8.855                 15.481
 ROA1   Fr= 1--     -45.257                 26.278                259.031
 CID1   Fr= 1--      -8.924                  2.967                 16.732
 Raman2 Fr= 1--       2.173                  3.795                  6.600
 ROA2   Fr= 1--      -2.298                  5.001                 48.771
 CID2   Fr= 1--      -1.058                  1.318                  7.390
 Raman3 Fr= 1--       4.347                  7.590                 13.199
 ROA3   Fr= 1--     -45.257                 26.278                259.031
 CID3   Fr= 1--     -10.411                  3.462                 19.624
 RC180  Fr= 1--       0.714                  0.714                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.11  -0.07  -0.00     0.12   0.08   0.01
     2   6     0.06   0.03   0.00     0.12   0.06  -0.00    -0.13  -0.07  -0.01
     3   7    -0.03  -0.01  -0.00    -0.06  -0.02  -0.00     0.07   0.02   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.01  -0.00    -0.06   0.02  -0.00    -0.07   0.02  -0.01
     6   6     0.06  -0.03   0.00     0.11  -0.06  -0.00     0.13  -0.08   0.01
     7   6    -0.06   0.04  -0.00    -0.11   0.07   0.00    -0.12   0.08  -0.01
     8   7     0.02  -0.02   0.00     0.04  -0.04  -0.00     0.05  -0.05  -0.00
     9   7     0.02   0.02   0.00     0.04   0.04  -0.00    -0.05  -0.05   0.00
    10   7    -0.00  -0.08  -0.02     0.00   0.04   0.01    -0.00  -0.00   0.00
    11   6     0.01   0.18   0.00    -0.00  -0.10  -0.00    -0.01   0.01  -0.01
    12   1    -0.04   0.14  -0.05    -0.09   0.27  -0.09    -0.10   0.28  -0.09
    13   1     0.06   0.02   0.08     0.12   0.04   0.17     0.10   0.07   0.18
    14   1     0.14   0.02  -0.04     0.26   0.03  -0.08     0.33   0.05  -0.10
    15   1    -0.00   0.06   0.08     0.00   0.12   0.16    -0.02   0.15   0.19
    16   1     0.15  -0.03  -0.04     0.27  -0.05  -0.09    -0.32   0.06   0.10
    17   1    -0.01  -0.06   0.08    -0.01  -0.12   0.16     0.03   0.14  -0.19
    18   1    -0.05  -0.14  -0.05    -0.10  -0.27  -0.09     0.11   0.27   0.08
    19   1     0.06  -0.02   0.08     0.11  -0.05   0.17    -0.09   0.07  -0.17
    20   1     0.06   0.05   0.01     0.11   0.08   0.03    -0.09  -0.07  -0.04
    21   1     0.07   0.06   0.01     0.14   0.11   0.01    -0.16  -0.15  -0.01
    22   1    -0.07  -0.02   0.00    -0.11  -0.04   0.03     0.16   0.06  -0.04
    23   1    -0.09  -0.04   0.01    -0.17  -0.05   0.01     0.16   0.04  -0.00
    24   1    -0.06   0.02   0.00    -0.10   0.04   0.02    -0.16   0.07   0.04
    25   1    -0.08   0.04   0.01    -0.17   0.06   0.01    -0.17   0.05   0.00
    26   1     0.05  -0.05   0.01     0.10  -0.09   0.02     0.09  -0.08   0.04
    27   1     0.06  -0.06   0.01     0.13  -0.11   0.01     0.15  -0.16   0.01
    28   6    -0.00  -0.18   0.00    -0.00   0.09  -0.00     0.01   0.00   0.01
    29   7    -0.00   0.08  -0.02     0.00  -0.04   0.01     0.00  -0.00  -0.00
    30   1    -0.04  -0.26  -0.05     0.02   0.13   0.01     0.01   0.04   0.01
    31   1    -0.05  -0.15  -0.01     0.02   0.10   0.01    -0.00  -0.06  -0.00
    32   1    -0.18  -0.09   0.22     0.09   0.05  -0.11    -0.02  -0.06   0.00
    33   1     0.21   0.29   0.19    -0.10  -0.16  -0.11     0.04   0.02   0.02
    34   1     0.19  -0.30   0.19    -0.09   0.16  -0.11    -0.04   0.02  -0.02
    35   1    -0.18   0.09   0.22     0.08  -0.04  -0.11     0.02  -0.06  -0.00
    36   1    -0.03   0.26  -0.05     0.01  -0.14   0.01    -0.01   0.04  -0.01
    37   1    -0.04   0.15  -0.01     0.02  -0.09   0.01    -0.00  -0.06   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    998.5077              1000.8016              1008.6616
 Red. masses --      1.2447                 1.2587                 1.2682
 Frc consts  --      0.7312                 0.7428                 0.7602
 IR Inten    --     11.0218                 1.4117                 9.7873
 RamAct Fr= 1--      0.2654                 0.7268                 0.3099
  Dep-P Fr= 1--      0.7436                 0.0133                 0.3315
  Dep-U Fr= 1--      0.8530                 0.0263                 0.4979
 Alpha2 Fr= 1--      0.0000                 0.0157                 0.0029
 Beta2  Fr= 1--      0.0377                 0.0032                 0.0257
 AlphaG Fr= 1--     -0.0000                 0.0028                -0.1020
 Gamma2 Fr= 1--      2.3327                 0.5502                -1.4184
 Delta2 Fr= 1--      0.2813                -0.0372                 0.2212
 Raman1 Fr= 1--       1.062                  2.907                  1.239
 ROA1   Fr= 1--     232.938                 51.631               -129.085
 CID1   Fr= 1--     219.438                 17.759               -104.146
 Raman2 Fr= 1--       0.453                  0.038                  0.309
 ROA2   Fr= 1--      53.733                 13.503                -35.810
 CID2   Fr= 1--     118.689                352.607               -116.058
 Raman3 Fr= 1--       0.905                  0.077                  0.617
 ROA3   Fr= 1--     232.938                 51.631               -129.085
 CID3   Fr= 1--     257.263                674.116               -209.175
 RC180  Fr= 1--       0.706                 -0.947                 -0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.03     0.04  -0.02  -0.01    -0.04   0.04   0.03
     2   6     0.01  -0.06  -0.03    -0.02   0.02   0.02     0.01  -0.05  -0.03
     3   7    -0.01   0.01  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.01  -0.00    -0.00  -0.01   0.01     0.01   0.01  -0.00
     6   6     0.01   0.06  -0.03     0.02   0.02  -0.02    -0.02  -0.05   0.03
     7   6    -0.05  -0.05   0.03    -0.04  -0.01   0.01     0.04   0.04  -0.03
     8   7     0.01   0.02  -0.00     0.01   0.00   0.01    -0.01  -0.02   0.00
     9   7     0.01  -0.01  -0.00    -0.01   0.00  -0.01     0.00  -0.02  -0.00
    10   7    -0.00   0.00   0.00    -0.01   0.00  -0.02    -0.01  -0.00  -0.01
    11   6     0.00   0.00  -0.00     0.07  -0.02   0.05     0.03  -0.01   0.04
    12   1     0.00   0.16  -0.13    -0.01   0.11  -0.09     0.00  -0.15   0.10
    13   1     0.21  -0.15   0.10     0.11  -0.07   0.06    -0.17   0.13  -0.09
    14   1    -0.17  -0.08   0.13    -0.04  -0.03   0.04     0.14   0.06  -0.10
    15   1     0.24  -0.13  -0.09     0.10  -0.04  -0.02    -0.19   0.10   0.08
    16   1    -0.16   0.08   0.12     0.04  -0.03  -0.05    -0.13   0.07   0.10
    17   1     0.23   0.11  -0.08    -0.12  -0.04   0.03     0.20   0.09  -0.08
    18   1    -0.00  -0.16  -0.12     0.01   0.12   0.10    -0.01  -0.16  -0.11
    19   1     0.20   0.13   0.10    -0.13  -0.07  -0.07     0.18   0.12   0.09
    20   1     0.23   0.14   0.03    -0.13  -0.08  -0.01     0.22   0.13   0.04
    21   1    -0.14  -0.12  -0.03     0.07   0.08   0.01    -0.12  -0.11  -0.02
    22   1     0.26   0.13  -0.02    -0.12  -0.06   0.01     0.21   0.11  -0.03
    23   1    -0.20  -0.03   0.01     0.13   0.05  -0.02    -0.17  -0.06   0.02
    24   1     0.26  -0.14  -0.02     0.10  -0.06  -0.01    -0.21   0.12   0.03
    25   1    -0.20   0.05   0.02    -0.11   0.05   0.02     0.16  -0.07  -0.02
    26   1     0.24  -0.16   0.03     0.11  -0.08   0.01    -0.21   0.14  -0.04
    27   1    -0.14   0.14  -0.03    -0.05   0.07  -0.01     0.12  -0.11   0.02
    28   6    -0.00  -0.00  -0.00    -0.07  -0.02  -0.05    -0.03  -0.01  -0.04
    29   7    -0.00  -0.00   0.00     0.01   0.00   0.02     0.01  -0.00   0.01
    30   1    -0.00  -0.01  -0.00    -0.05  -0.24  -0.04    -0.03  -0.13  -0.01
    31   1    -0.01   0.01   0.01     0.04   0.35   0.00     0.04   0.20  -0.01
    32   1    -0.00   0.00   0.00     0.12   0.30  -0.02     0.07   0.19  -0.00
    33   1    -0.00  -0.00  -0.01    -0.20  -0.11  -0.11    -0.14  -0.06  -0.06
    34   1     0.01  -0.01   0.00     0.20  -0.12   0.12     0.13  -0.07   0.06
    35   1    -0.01   0.02   0.01    -0.11   0.30   0.03    -0.06   0.20   0.00
    36   1    -0.00  -0.01   0.00     0.04  -0.24   0.04     0.02  -0.14   0.01
    37   1    -0.01   0.01   0.01    -0.02   0.35  -0.00    -0.03   0.20   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.2131              1048.8355              1050.3416
 Red. masses --      3.1942                 3.1878                 3.1363
 Frc consts  --      2.0678                 2.0661                 2.0386
 IR Inten    --     67.9328                59.4079                 9.0356
 RamAct Fr= 1--      0.1442                 1.2425                 1.5657
  Dep-P Fr= 1--      0.7414                 0.7009                 0.4786
  Dep-U Fr= 1--      0.8515                 0.8241                 0.6474
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0085
 Beta2  Fr= 1--      0.0205                 0.1707                 0.1689
 AlphaG Fr= 1--     -0.0001                 0.0177                -0.0063
 Gamma2 Fr= 1--      0.7848                 0.0108                -0.9400
 Delta2 Fr= 1--      0.4788                -0.8945                 1.0426
 Raman1 Fr= 1--       0.577                  4.970                  6.263
 ROA1   Fr= 1--      90.664                -27.591                -56.872
 CID1   Fr= 1--     157.183                 -5.551                 -9.081
 Raman2 Fr= 1--       0.246                  2.048                  2.027
 ROA2   Fr= 1--      15.006                  7.414                -30.900
 CID2   Fr= 1--      61.105                  3.620                -15.243
 Raman3 Fr= 1--       0.491                  4.096                  4.054
 ROA3   Fr= 1--      90.664                -27.591                -56.872
 CID3   Fr= 1--     184.597                 -6.736                -14.027
 RC180  Fr= 1--       0.703                  0.648                  0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.14    -0.01  -0.03   0.05     0.03   0.11  -0.15
     2   6     0.09  -0.03   0.15    -0.02   0.01  -0.05     0.10  -0.04   0.16
     3   7    -0.10  -0.01  -0.01     0.03   0.00   0.01    -0.11  -0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.12   0.01  -0.01    -0.02   0.00  -0.01     0.10  -0.01   0.01
     6   6     0.11   0.03   0.17     0.02   0.00   0.04    -0.09  -0.03  -0.14
     7   6     0.03  -0.11  -0.16     0.01  -0.02  -0.04    -0.02   0.10   0.14
     8   7    -0.06   0.10   0.01    -0.01   0.02   0.00     0.05  -0.08  -0.01
     9   7    -0.06  -0.08   0.01     0.02   0.03  -0.00    -0.06  -0.09   0.01
    10   7    -0.00   0.00   0.00     0.01   0.13   0.07     0.00   0.03   0.02
    11   6     0.00  -0.00  -0.00     0.16  -0.10  -0.17     0.04  -0.03  -0.05
    12   1     0.08  -0.11  -0.32     0.02  -0.05  -0.06    -0.07   0.11   0.29
    13   1     0.09  -0.17  -0.20    -0.00  -0.02  -0.05    -0.07   0.14   0.16
    14   1     0.14  -0.01   0.33     0.03   0.00   0.05    -0.11   0.01  -0.29
    15   1     0.17   0.00   0.20     0.03   0.01   0.05    -0.16   0.00  -0.17
    16   1     0.12   0.01   0.29    -0.04   0.00  -0.08     0.12   0.01   0.33
    17   1     0.15  -0.01   0.17    -0.04   0.01  -0.07     0.18  -0.00   0.20
    18   1     0.07   0.09  -0.28    -0.03  -0.05   0.08     0.09   0.12  -0.33
    19   1     0.08   0.14  -0.18    -0.00  -0.03   0.06     0.09   0.15  -0.18
    20   1    -0.01  -0.05   0.04     0.03   0.03  -0.01    -0.01  -0.07   0.03
    21   1     0.12   0.03   0.04    -0.06  -0.02  -0.02     0.11   0.03   0.04
    22   1    -0.06   0.02  -0.04     0.03   0.00   0.00    -0.04   0.03  -0.04
    23   1     0.11   0.09  -0.04    -0.03  -0.04   0.02     0.08   0.08  -0.04
    24   1    -0.07  -0.02  -0.04    -0.02   0.01  -0.00     0.03   0.03   0.03
    25   1     0.12  -0.11  -0.05     0.02  -0.03  -0.01    -0.06   0.07   0.03
    26   1    -0.00   0.06   0.04    -0.03   0.03   0.01     0.01  -0.06  -0.03
    27   1     0.14  -0.04   0.05     0.05  -0.02   0.01    -0.10   0.03  -0.04
    28   6    -0.00  -0.00   0.00    -0.16  -0.10   0.17    -0.04  -0.03   0.05
    29   7    -0.00   0.00  -0.00    -0.01   0.13  -0.07     0.00   0.03  -0.02
    30   1    -0.00  -0.01   0.00    -0.04  -0.18   0.06    -0.01  -0.03   0.02
    31   1     0.00   0.00  -0.00    -0.02   0.05   0.08    -0.00   0.02   0.02
    32   1     0.01  -0.01  -0.01     0.19  -0.20  -0.20     0.05  -0.06  -0.06
    33   1     0.01  -0.01  -0.01     0.37  -0.17  -0.21     0.11  -0.05  -0.06
    34   1    -0.01  -0.00   0.00    -0.38  -0.15   0.21    -0.11  -0.04   0.06
    35   1    -0.00  -0.00   0.00    -0.20  -0.20   0.20    -0.06  -0.06   0.06
    36   1    -0.00  -0.00  -0.00     0.03  -0.18  -0.06     0.01  -0.03  -0.02
    37   1     0.00  -0.00  -0.01     0.02   0.05  -0.08     0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1111.6532              1118.8637              1119.3578
 Red. masses --      1.0209                 1.0281                 1.0262
 Frc consts  --      0.7433                 0.7583                 0.7576
 IR Inten    --      0.4538                 0.5040                 0.1639
 RamAct Fr= 1--      0.3776                 0.5441                 0.7651
  Dep-P Fr= 1--      0.7484                 0.7210                 0.6723
  Dep-U Fr= 1--      0.8561                 0.8379                 0.8040
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0011
 Beta2  Fr= 1--      0.0539                 0.0760                 0.1025
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0005
 Gamma2 Fr= 1--     -0.2517                 0.3333                -1.1954
 Delta2 Fr= 1--     -0.0879                -0.0170                -0.4105
 Raman1 Fr= 1--       1.510                  2.176                  3.061
 ROA1   Fr= 1--     -26.973                 31.448               -127.896
 CID1   Fr= 1--     -17.857                 14.450                -41.789
 Raman2 Fr= 1--       0.647                  0.912                  1.230
 ROA2   Fr= 1--      -5.337                  8.135                -25.406
 CID2   Fr= 1--      -8.254                  8.922                -20.649
 Raman3 Fr= 1--       1.293                  1.823                  2.461
 ROA3   Fr= 1--     -26.973                 31.448               -127.896
 CID3   Fr= 1--     -20.859                 17.246                -51.974
 RC180  Fr= 1--       0.712                  0.676                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     3   7    -0.01  -0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.01     0.01  -0.00   0.00     0.01   0.00   0.01
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     8   7     0.00  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.01   0.01
     9   7     0.00   0.01  -0.01    -0.01  -0.00  -0.01     0.01   0.01  -0.01
    10   7     0.00  -0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    12   1     0.04  -0.10  -0.07    -0.04   0.11   0.10    -0.03   0.07   0.05
    13   1    -0.08   0.15   0.17     0.08  -0.16  -0.18     0.08  -0.13  -0.14
    14   1    -0.10  -0.01  -0.09     0.10   0.01   0.10     0.09   0.01   0.06
    15   1     0.17  -0.00   0.18    -0.17  -0.00  -0.18    -0.15   0.01  -0.14
    16   1    -0.10   0.02  -0.08     0.01  -0.00   0.02    -0.14   0.02  -0.12
    17   1     0.16  -0.00   0.17    -0.02   0.01  -0.03     0.22  -0.00   0.24
    18   1     0.04   0.10  -0.07    -0.01  -0.03   0.04     0.05   0.13  -0.11
    19   1    -0.09  -0.14   0.16     0.01   0.03  -0.03    -0.13  -0.20   0.23
    20   1    -0.22  -0.16  -0.00     0.05   0.03   0.02    -0.31  -0.21  -0.01
    21   1     0.09   0.14   0.01     0.02   0.01  -0.00     0.11   0.17   0.00
    22   1     0.25   0.10   0.01    -0.05  -0.02   0.01     0.35   0.15   0.00
    23   1    -0.15   0.01  -0.01    -0.01  -0.02   0.00    -0.21  -0.02   0.00
    24   1     0.25  -0.12   0.01    -0.26   0.13   0.01    -0.21   0.10  -0.01
    25   1    -0.16  -0.00  -0.00     0.14  -0.01  -0.00     0.16  -0.04  -0.00
    26   1    -0.23   0.17  -0.00     0.24  -0.18   0.02     0.18  -0.14  -0.01
    27   1     0.09  -0.14   0.00    -0.05   0.11  -0.00    -0.09   0.13  -0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    29   7     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    30   1    -0.03  -0.12  -0.05    -0.03  -0.16  -0.09     0.02   0.09   0.04
    31   1     0.02   0.26   0.02     0.01   0.36   0.04    -0.00  -0.13  -0.01
    32   1    -0.12   0.14   0.12    -0.17   0.19   0.18     0.07  -0.08  -0.07
    33   1     0.06  -0.08  -0.08     0.06  -0.12  -0.13    -0.02   0.03   0.03
    34   1     0.06   0.07  -0.08     0.06   0.11  -0.12    -0.03  -0.05   0.06
    35   1    -0.12  -0.13   0.12    -0.18  -0.19   0.18     0.06   0.07  -0.07
    36   1    -0.02   0.12  -0.05    -0.03   0.18  -0.09     0.01  -0.05   0.03
    37   1     0.01  -0.26   0.02    -0.00  -0.35   0.03     0.00   0.15  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1170.6366              1172.2226              1189.7807
 Red. masses --      1.0742                 1.0712                 1.0612
 Frc consts  --      0.8674                 0.8672                 0.8851
 IR Inten    --     73.7737                68.4862                 0.8745
 RamAct Fr= 1--      9.7688                 9.8497                 9.2609
  Dep-P Fr= 1--      0.7428                 0.7500                 0.2428
  Dep-U Fr= 1--      0.8524                 0.8571                 0.3908
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.1120
 Beta2  Fr= 1--      1.3879                 1.4071                 0.6031
 AlphaG Fr= 1--      0.0214                -0.0000                 0.0520
 Gamma2 Fr= 1--     -4.5283                 0.6438                 1.5391
 Delta2 Fr= 1--      3.1293                 6.0604                -5.3236
 Raman1 Fr= 1--      39.075                 39.399                 37.043
 ROA1   Fr= 1--    -334.579                255.739                -22.607
 CID1   Fr= 1--      -8.562                  6.491                 -0.610
 Raman2 Fr= 1--      16.655                 16.885                  7.237
 ROA2   Fr= 1--    -133.714                -33.032                 79.526
 CID2   Fr= 1--      -8.029                 -1.956                 10.988
 Raman3 Fr= 1--      33.309                 33.770                 14.475
 ROA3   Fr= 1--    -334.579                255.739                -22.607
 CID3   Fr= 1--     -10.045                  7.573                 -1.562
 RC180  Fr= 1--       0.705                  0.714                 -0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   7    -0.01  -0.00   0.01    -0.03  -0.01   0.02    -0.03  -0.00   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.01  -0.01  -0.01    -0.03   0.01   0.01     0.03  -0.01  -0.01
     6   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.01
     8   7     0.01  -0.01   0.01    -0.02   0.02  -0.02     0.02  -0.02   0.01
     9   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.02    -0.02  -0.02  -0.01
    10   7    -0.02  -0.04   0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
    12   1     0.04  -0.10  -0.12    -0.08   0.18   0.21     0.07  -0.18  -0.18
    13   1    -0.01   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1     0.09   0.00   0.10    -0.20  -0.02  -0.21     0.19   0.02   0.19
    15   1    -0.01   0.01   0.00     0.02  -0.00   0.01    -0.02   0.00  -0.02
    16   1    -0.08   0.00  -0.09    -0.20   0.02  -0.22    -0.19   0.03  -0.19
    17   1     0.01   0.01  -0.01     0.01   0.00   0.01     0.02   0.00   0.02
    18   1    -0.04  -0.09   0.11    -0.09  -0.18   0.22    -0.08  -0.17   0.18
    19   1     0.01   0.02  -0.02     0.02   0.02  -0.02     0.01   0.01  -0.01
    20   1     0.10   0.06   0.05     0.17   0.09   0.10     0.14   0.07   0.07
    21   1     0.16   0.09   0.02     0.28   0.17   0.04     0.25   0.16   0.04
    22   1     0.05   0.03  -0.04     0.17   0.09  -0.09     0.15   0.08  -0.07
    23   1     0.12   0.05  -0.01     0.31   0.17  -0.04     0.26   0.13  -0.03
    24   1    -0.06   0.04   0.04     0.17  -0.10  -0.09    -0.15   0.09   0.07
    25   1    -0.13   0.07   0.01     0.30  -0.18  -0.04    -0.26   0.14   0.03
    26   1    -0.10   0.06  -0.05     0.15  -0.09   0.10    -0.13   0.08  -0.07
    27   1    -0.17   0.11  -0.02     0.27  -0.18   0.04    -0.24   0.17  -0.04
    28   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    29   7     0.02  -0.04  -0.00    -0.00   0.00   0.00    -0.01   0.02  -0.01
    30   1     0.05   0.43  -0.01     0.00   0.03  -0.01    -0.03  -0.23  -0.01
    31   1     0.11   0.23  -0.04     0.00  -0.00   0.00    -0.05  -0.10   0.03
    32   1    -0.01   0.02   0.01     0.01  -0.02  -0.01    -0.01  -0.03  -0.01
    33   1     0.19  -0.20  -0.22    -0.00   0.00  -0.00    -0.09   0.13   0.14
    34   1    -0.20  -0.20   0.22    -0.01  -0.01   0.01     0.10   0.13  -0.14
    35   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.00  -0.03   0.01
    36   1    -0.03   0.43   0.01    -0.00  -0.01  -0.01     0.02  -0.24   0.01
    37   1    -0.10   0.23   0.04    -0.00   0.01   0.00     0.05  -0.10  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1223.4618              1226.3144              1244.7594
 Red. masses --      1.2544                 1.2485                 1.2398
 Frc consts  --      1.1063                 1.1062                 1.1318
 IR Inten    --      6.1565                 0.1951                32.6750
 RamAct Fr= 1--      6.7834                 7.9547                 0.9831
  Dep-P Fr= 1--      0.7496                 0.7490                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8565                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0000
 Beta2  Fr= 1--      0.9687                 1.1355                 0.1404
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      1.4952                -3.3900                -0.2244
 Delta2 Fr= 1--      0.4131                -0.6898                -0.0865
 Raman1 Fr= 1--      27.134                 31.819                  3.932
 ROA1   Fr= 1--     156.763               -347.509                -24.309
 CID1   Fr= 1--       5.777                -10.922                 -6.182
 Raman2 Fr= 1--      11.625                 13.626                  1.685
 ROA2   Fr= 1--      32.580                -75.841                 -4.693
 CID2   Fr= 1--       2.803                 -5.566                 -2.785
 Raman3 Fr= 1--      23.250                 27.253                  3.371
 ROA3   Fr= 1--     156.763               -347.509                -24.309
 CID3   Fr= 1--       6.743                -12.751                 -7.212
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.01    -0.03  -0.02  -0.02    -0.03  -0.01  -0.01
     2   6     0.01   0.01  -0.01     0.03   0.02  -0.02     0.03   0.02  -0.01
     3   7    -0.02  -0.01   0.02    -0.04  -0.02   0.03    -0.04  -0.02   0.02
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.02   0.01   0.02     0.04  -0.02  -0.03    -0.03   0.02   0.02
     6   6     0.01  -0.01  -0.01    -0.03   0.02   0.02     0.03  -0.02  -0.01
     7   6    -0.02   0.01  -0.01     0.03  -0.02   0.02    -0.03   0.01  -0.01
     8   7     0.02  -0.01   0.02    -0.04   0.03  -0.03     0.04  -0.02   0.02
     9   7     0.02   0.01   0.01     0.04   0.02   0.03     0.04   0.02   0.02
    10   7     0.04   0.06  -0.01    -0.00   0.00  -0.01    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01     0.00  -0.00   0.01     0.01   0.02   0.00
    12   1     0.00  -0.02  -0.07    -0.01   0.02   0.13     0.01  -0.03  -0.11
    13   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.00     0.02  -0.01  -0.01
    14   1    -0.00   0.00  -0.08     0.05   0.01   0.15    -0.01  -0.01  -0.08
    15   1     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.03   0.02  -0.03
    16   1    -0.00  -0.00  -0.07    -0.05   0.01  -0.15    -0.01   0.01  -0.08
    17   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.01  -0.02
    18   1     0.00   0.02  -0.06     0.01   0.02  -0.13     0.01   0.03  -0.11
    19   1     0.01   0.01  -0.02     0.01  -0.01   0.00     0.02   0.01  -0.01
    20   1    -0.06  -0.03  -0.05    -0.16  -0.08  -0.14    -0.11  -0.06  -0.09
    21   1    -0.16  -0.12  -0.02    -0.33  -0.22  -0.03    -0.33  -0.20  -0.04
    22   1     0.08   0.05  -0.08     0.16   0.09  -0.13     0.12   0.06  -0.08
    23   1     0.18   0.09  -0.01     0.40   0.17  -0.03     0.33   0.17  -0.03
    24   1     0.09  -0.06  -0.08    -0.15   0.10   0.13     0.11  -0.07  -0.08
    25   1     0.20  -0.11  -0.01    -0.38   0.18   0.03     0.32  -0.18  -0.03
    26   1    -0.07   0.04  -0.06     0.15  -0.08   0.14    -0.11   0.06  -0.09
    27   1    -0.17   0.14  -0.02     0.32  -0.23   0.03    -0.32   0.21  -0.04
    28   6    -0.02   0.05   0.01    -0.01   0.00  -0.01     0.01  -0.03   0.00
    29   7     0.03  -0.06  -0.01     0.01  -0.00   0.01    -0.02   0.03  -0.00
    30   1    -0.06  -0.53  -0.01     0.01   0.03   0.02     0.03   0.28   0.02
    31   1    -0.13  -0.18   0.06    -0.00  -0.01  -0.01     0.09   0.13  -0.05
    32   1    -0.02   0.04   0.01     0.02   0.02  -0.00    -0.02   0.05   0.05
    33   1    -0.13   0.01   0.07     0.00  -0.04  -0.04     0.10  -0.05  -0.08
    34   1    -0.13  -0.01   0.07    -0.01  -0.04   0.04     0.11   0.04  -0.08
    35   1    -0.02  -0.04   0.01    -0.02   0.01   0.00    -0.03  -0.05   0.05
    36   1    -0.04   0.53  -0.01    -0.01   0.05  -0.03     0.02  -0.28   0.02
    37   1    -0.12   0.19   0.06    -0.01  -0.00   0.01     0.08  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2906              1292.6053              1297.3038
 Red. masses --      1.4046                 1.3948                 1.3712
 Frc consts  --      1.3820                 1.3731                 1.3596
 IR Inten    --      0.4428                 0.0353                 1.3624
 RamAct Fr= 1--      2.1596                 4.8371                 1.7877
  Dep-P Fr= 1--      0.5834                 0.0503                 0.6362
  Dep-U Fr= 1--      0.7369                 0.0959                 0.7776
 Alpha2 Fr= 1--      0.0067                 0.0955                 0.0037
 Beta2  Fr= 1--      0.2652                 0.0773                 0.2317
 AlphaG Fr= 1--      0.0005                -0.0074                 0.0225
 Gamma2 Fr= 1--      1.5801                -0.6557                 0.4099
 Delta2 Fr= 1--      0.1465                -1.0801                 1.1038
 Raman1 Fr= 1--       8.639                 19.348                  7.151
 ROA1   Fr= 1--     156.382                -97.512                 74.674
 CID1   Fr= 1--      18.103                 -5.040                 10.443
 Raman2 Fr= 1--       3.183                  0.927                  2.780
 ROA2   Fr= 1--      36.751                 -7.097                  1.007
 CID2   Fr= 1--      11.547                 -7.652                  0.362
 Raman3 Fr= 1--       6.366                  1.855                  5.561
 ROA3   Fr= 1--     156.382                -97.512                 74.674
 CID3   Fr= 1--      24.566                -52.570                 13.429
 RC180  Fr= 1--       0.474                 -0.808                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04   0.06   0.03     0.03  -0.05  -0.02
     2   6    -0.03   0.06   0.02     0.03  -0.07  -0.04    -0.02   0.06   0.02
     3   7    -0.00  -0.03  -0.01    -0.00   0.02   0.02    -0.01  -0.02  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00   0.03  -0.02     0.00   0.01  -0.01     0.00  -0.02   0.01
     6   6    -0.05  -0.08   0.04    -0.02  -0.03   0.02     0.02   0.05  -0.02
     7   6     0.05   0.08  -0.04     0.02   0.03  -0.02    -0.03  -0.05   0.02
     8   7    -0.03  -0.01   0.02    -0.01  -0.00   0.01     0.02   0.01  -0.01
     9   7    -0.02   0.01   0.01     0.02  -0.01  -0.02    -0.02   0.01   0.01
    10   7     0.00  -0.01   0.00     0.03  -0.02   0.02     0.02  -0.01   0.01
    11   6    -0.01   0.00  -0.01    -0.06   0.01  -0.06    -0.06   0.00  -0.06
    12   1     0.02  -0.08   0.09    -0.01   0.02   0.06    -0.02   0.06  -0.01
    13   1    -0.05  -0.03  -0.32    -0.02  -0.03  -0.14     0.04  -0.00   0.17
    14   1     0.09   0.02  -0.08    -0.01   0.01  -0.06    -0.06  -0.01   0.03
    15   1    -0.02   0.07   0.31     0.02   0.02   0.13     0.01  -0.04  -0.17
    16   1     0.07  -0.01  -0.03    -0.04   0.01   0.09     0.07  -0.01  -0.03
    17   1    -0.03  -0.04   0.19    -0.00   0.05  -0.26    -0.02  -0.04   0.19
    18   1     0.02   0.07   0.05     0.00  -0.02  -0.10     0.03   0.07   0.02
    19   1    -0.03   0.02  -0.20     0.03  -0.04   0.27    -0.04   0.00  -0.19
    20   1     0.20   0.17  -0.02    -0.23  -0.19   0.02     0.18   0.16  -0.03
    21   1    -0.08  -0.14   0.01     0.08   0.16  -0.01    -0.11  -0.16   0.00
    22   1     0.25   0.08   0.03    -0.27  -0.08  -0.04     0.25   0.08   0.02
    23   1    -0.17   0.01  -0.01     0.21   0.01   0.01    -0.14   0.01  -0.01
    24   1     0.36  -0.13   0.05     0.11  -0.04   0.02    -0.23   0.09  -0.01
    25   1    -0.26   0.00  -0.02    -0.10   0.02  -0.00     0.13   0.00   0.01
    26   1     0.28  -0.26  -0.03     0.10  -0.08  -0.00    -0.16   0.15   0.02
    27   1    -0.11   0.22   0.01    -0.03   0.07   0.01     0.10  -0.16  -0.00
    28   6     0.01  -0.00   0.01     0.06   0.01   0.06     0.06   0.00   0.06
    29   7    -0.01  -0.00  -0.00    -0.03  -0.02  -0.02    -0.02  -0.01  -0.01
    30   1    -0.01  -0.02  -0.03    -0.03  -0.16  -0.11    -0.03  -0.17  -0.10
    31   1     0.00   0.08   0.02     0.00   0.33   0.07     0.00   0.30   0.06
    32   1    -0.06  -0.02   0.03    -0.23  -0.04   0.12    -0.25   0.00   0.15
    33   1     0.01   0.00  -0.01     0.08   0.04   0.01     0.09   0.02  -0.00
    34   1    -0.02   0.02  -0.01    -0.07   0.04  -0.00    -0.09   0.03   0.00
    35   1     0.05  -0.01  -0.02     0.23  -0.06  -0.13     0.25  -0.01  -0.15
    36   1     0.01  -0.05   0.02     0.02  -0.15   0.11     0.02  -0.18   0.10
    37   1     0.00   0.07  -0.02     0.01   0.33  -0.07     0.01   0.30  -0.06
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.4597              1333.7213              1340.3173
 Red. masses --      1.1857                 1.1927                 1.1701
 Frc consts  --      1.2385                 1.2500                 1.2384
 IR Inten    --     24.5007                27.3947                 0.0260
 RamAct Fr= 1--      3.5488                 3.3974                 3.1375
  Dep-P Fr= 1--      0.7499                 0.7498                 0.2404
  Dep-U Fr= 1--      0.8571                 0.8570                 0.3877
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0382
 Beta2  Fr= 1--      0.5069                 0.4853                 0.2027
 AlphaG Fr= 1--      0.0000                 0.0014                 0.0258
 Gamma2 Fr= 1--     -5.9395                 3.9469                -2.6157
 Delta2 Fr= 1--     -6.1610                 1.9983                -2.1164
 Raman1 Fr= 1--      14.195                 13.590                 12.550
 ROA1   Fr= 1--    -767.347                442.844               -318.831
 CID1   Fr= 1--     -54.056                 32.587                -25.405
 Raman2 Fr= 1--       6.083                  5.823                  2.433
 ROA2   Fr= 1--     -93.261                 78.738                -45.845
 CID2   Fr= 1--     -15.331                 13.521                -18.846
 Raman3 Fr= 1--      12.166                 11.646                  4.865
 ROA3   Fr= 1--    -767.347                442.844               -318.831
 CID3   Fr= 1--     -63.072                 38.024                -65.532
 RC180  Fr= 1--       0.714                  0.714                 -0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.04     0.01  -0.01   0.02    -0.01   0.01  -0.03
     2   6     0.00   0.01  -0.04    -0.00   0.01  -0.02    -0.01  -0.00   0.02
     3   7    -0.02  -0.04   0.01    -0.01  -0.03   0.01     0.02   0.02  -0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.02   0.04   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   6     0.00  -0.01  -0.04     0.00   0.01   0.02     0.01  -0.00  -0.02
     7   6     0.01   0.00   0.04    -0.01  -0.01  -0.02     0.01   0.01   0.03
     8   7    -0.04  -0.00  -0.02     0.02   0.00   0.00    -0.04  -0.00  -0.01
     9   7    -0.04   0.00  -0.02    -0.02   0.00  -0.01     0.04  -0.00   0.01
    10   7     0.00  -0.00   0.00    -0.01  -0.04   0.03     0.00  -0.03   0.02
    11   6    -0.00  -0.00  -0.00     0.04   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.10  -0.25  -0.19    -0.06   0.14   0.12     0.10  -0.22  -0.19
    13   1    -0.07   0.15   0.22     0.05  -0.08  -0.09    -0.09   0.17   0.19
    14   1     0.28   0.02   0.23    -0.15  -0.01  -0.10     0.14   0.01   0.10
    15   1    -0.18  -0.01  -0.23     0.08   0.00   0.10    -0.10  -0.01  -0.16
    16   1     0.27  -0.03   0.22     0.18  -0.02   0.12    -0.16   0.02  -0.12
    17   1    -0.17   0.01  -0.22    -0.10   0.01  -0.12     0.12  -0.01   0.17
    18   1     0.10   0.23  -0.17     0.07   0.14  -0.12    -0.10  -0.20   0.17
    19   1    -0.07  -0.14   0.20    -0.05  -0.09   0.10     0.09   0.16  -0.19
    20   1     0.13   0.11   0.06     0.10   0.08   0.02    -0.16  -0.13  -0.05
    21   1     0.13   0.05   0.02     0.05   0.00   0.01    -0.13  -0.03  -0.02
    22   1     0.18   0.06  -0.05     0.14   0.05  -0.04    -0.13  -0.05   0.03
    23   1     0.08   0.09  -0.02     0.06   0.05  -0.01    -0.10  -0.06   0.01
    24   1     0.19  -0.07  -0.06    -0.12   0.05   0.03     0.11  -0.05  -0.03
    25   1     0.08  -0.10  -0.02    -0.05   0.05   0.01     0.11  -0.06  -0.01
    26   1     0.14  -0.12   0.07    -0.09   0.08  -0.02     0.17  -0.15   0.05
    27   1     0.14  -0.05   0.02    -0.04  -0.00  -0.01     0.13  -0.03   0.02
    28   6     0.00   0.00  -0.00    -0.04   0.01   0.02    -0.02   0.01   0.02
    29   7     0.00   0.00   0.00     0.01  -0.04  -0.03    -0.00  -0.03  -0.02
    30   1    -0.00  -0.01  -0.01     0.01   0.16  -0.04     0.00   0.09  -0.04
    31   1    -0.01   0.02   0.01     0.08   0.21   0.01     0.05   0.22   0.02
    32   1    -0.01  -0.02  -0.00     0.20  -0.16  -0.19     0.09  -0.13  -0.11
    33   1    -0.02   0.01   0.01    -0.15   0.26   0.26    -0.09   0.17   0.16
    34   1    -0.03  -0.02   0.02     0.16   0.25  -0.25     0.10   0.17  -0.16
    35   1     0.01   0.03  -0.01    -0.20  -0.15   0.19    -0.10  -0.13   0.11
    36   1    -0.00   0.00  -0.01    -0.00   0.16   0.04    -0.00   0.09   0.04
    37   1    -0.00  -0.03   0.01    -0.07   0.21  -0.01    -0.04   0.22  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.5049              1348.6581              1350.4537
 Red. masses --      1.1947                 1.1898                 1.1935
 Frc consts  --      1.2781                 1.2751                 1.2824
 IR Inten    --      8.2756                 1.8523                 9.5788
 RamAct Fr= 1--      3.5925                11.3734                 9.4211
  Dep-P Fr= 1--      0.7495                 0.7491                 0.7500
  Dep-U Fr= 1--      0.8568                 0.8565                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.5130                 1.6236                 1.3459
 AlphaG Fr= 1--      0.0001                 0.0005                 0.0000
 Gamma2 Fr= 1--      3.6670                12.1437                -6.9409
 Delta2 Fr= 1--      0.7523                 3.1082                -0.5599
 Raman1 Fr= 1--      14.370                 45.494                 37.685
 ROA1   Fr= 1--     376.105               1265.253               -684.242
 CID1   Fr= 1--      26.173                 27.812                -18.157
 Raman2 Fr= 1--       6.156                 19.484                 16.150
 ROA2   Fr= 1--      81.990                266.582               -162.102
 CID2   Fr= 1--      13.318                 13.682                -10.037
 Raman3 Fr= 1--      12.313                 38.967                 32.301
 ROA3   Fr= 1--     376.105               1265.253               -684.242
 CID3   Fr= 1--      30.545                 32.470                -21.184
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.01    -0.00   0.05  -0.00     0.00   0.01  -0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.03  -0.01    -0.01   0.00  -0.00
     3   7    -0.00  -0.04  -0.00    -0.01  -0.05  -0.00     0.00  -0.01  -0.00
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.04  -0.00     0.01  -0.04   0.00     0.00   0.01  -0.00
     6   6    -0.04  -0.03  -0.01     0.03   0.03   0.01    -0.01  -0.00  -0.00
     7   6    -0.01  -0.05  -0.01     0.00   0.04   0.00     0.00  -0.01   0.00
     8   7     0.04   0.01  -0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     9   7     0.04  -0.02   0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.04
    11   6    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01   0.03   0.06
    12   1    -0.11   0.23   0.26     0.09  -0.20  -0.20    -0.01   0.03   0.04
    13   1     0.11  -0.16  -0.06    -0.07   0.11   0.03     0.01  -0.01   0.01
    14   1     0.25   0.01   0.26    -0.27  -0.01  -0.27     0.05   0.00   0.06
    15   1    -0.18   0.02  -0.07     0.19  -0.02   0.10    -0.04   0.00  -0.03
    16   1     0.21  -0.01   0.23     0.28  -0.02   0.28     0.05  -0.00   0.06
    17   1    -0.15  -0.01  -0.05    -0.20  -0.01  -0.10    -0.04  -0.00  -0.02
    18   1    -0.13  -0.23   0.27    -0.11  -0.21   0.23    -0.02  -0.03   0.05
    19   1     0.12   0.15  -0.07     0.09   0.12  -0.04     0.01   0.01   0.01
    20   1    -0.21  -0.19  -0.02    -0.19  -0.17  -0.01    -0.01  -0.02   0.01
    21   1    -0.02   0.08  -0.01     0.00   0.09  -0.01     0.04   0.04   0.00
    22   1     0.21   0.06  -0.00     0.30   0.09  -0.01     0.05   0.01   0.00
    23   1    -0.08   0.04  -0.01    -0.05   0.05  -0.02    -0.03   0.00  -0.00
    24   1     0.25  -0.08  -0.01    -0.28   0.10   0.01     0.04  -0.01   0.00
    25   1    -0.08  -0.05  -0.02     0.04   0.05   0.02    -0.03  -0.00  -0.00
    26   1    -0.20   0.20  -0.02     0.16  -0.16   0.01    -0.01   0.01   0.01
    27   1    -0.01  -0.09  -0.01    -0.00   0.08   0.01     0.04  -0.04   0.01
    28   6    -0.00   0.01  -0.01     0.00   0.00  -0.01     0.00  -0.03   0.06
    29   7     0.00   0.01   0.01    -0.00   0.01   0.00    -0.02  -0.04  -0.04
    30   1    -0.00  -0.01  -0.02    -0.00  -0.02   0.01     0.02   0.03   0.11
    31   1     0.01   0.06   0.01    -0.01  -0.03   0.00    -0.05  -0.37  -0.07
    32   1     0.01  -0.03  -0.03    -0.02   0.00   0.02    -0.04   0.21   0.12
    33   1    -0.04   0.06   0.07     0.01  -0.03  -0.03     0.27  -0.30  -0.30
    34   1    -0.03  -0.05   0.06    -0.01  -0.04   0.04     0.28   0.29  -0.31
    35   1     0.01   0.02  -0.02     0.02   0.01  -0.02    -0.04  -0.21   0.12
    36   1    -0.00   0.02  -0.01    -0.00  -0.02  -0.01     0.02  -0.03   0.11
    37   1     0.01  -0.05   0.01     0.01  -0.04  -0.00    -0.04   0.38  -0.07
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.6482              1405.3722              1406.9164
 Red. masses --      1.2658                 1.2682                 1.2640
 Frc consts  --      1.4714                 1.4757                 1.4741
 IR Inten    --      0.5887                 1.1744                 1.3061
 RamAct Fr= 1--      0.8423                 2.5381                 1.8372
  Dep-P Fr= 1--      0.7497                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1203                 0.3625                 0.2624
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.7385                -3.0074                 2.0258
 Delta2 Fr= 1--     -0.2291                -1.2818                 1.0145
 Raman1 Fr= 1--       3.369                 10.153                  7.349
 ROA1   Fr= 1--     -78.231               -329.726                226.942
 CID1   Fr= 1--     -23.220                -32.477                 30.882
 Raman2 Fr= 1--       1.444                  4.350                  3.149
 ROA2   Fr= 1--     -15.892                -61.923                 40.503
 CID2   Fr= 1--     -11.009                -14.237                 12.861
 Raman3 Fr= 1--       2.887                  8.699                  6.299
 ROA3   Fr= 1--     -78.231               -329.726                226.942
 CID3   Fr= 1--     -27.097                -37.903                 36.030
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.05     0.04   0.02  -0.06    -0.01  -0.01   0.02
     2   6    -0.03  -0.01  -0.05    -0.04  -0.02  -0.07     0.01   0.00   0.02
     3   7    -0.01   0.01   0.01    -0.01   0.01   0.02     0.01  -0.00  -0.01
     4  45    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.01   0.02     0.01   0.01  -0.02     0.01   0.00  -0.01
     6   6    -0.04   0.02  -0.06     0.03  -0.02   0.05     0.01  -0.01   0.02
     7   6     0.04  -0.03  -0.06    -0.03   0.02   0.05    -0.01   0.01   0.02
     8   7    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.00   0.01  -0.01
     9   7    -0.00   0.01   0.02    -0.00   0.02   0.02    -0.00  -0.01  -0.01
    10   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.01  -0.01
    11   6     0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.07  -0.06  -0.03
    12   1    -0.07   0.16   0.23     0.06  -0.12  -0.20     0.02  -0.05  -0.06
    13   1    -0.14   0.27   0.24     0.09  -0.21  -0.20     0.04  -0.07  -0.06
    14   1     0.16   0.00   0.25    -0.13  -0.00  -0.21    -0.05  -0.00  -0.07
    15   1     0.29   0.01   0.26    -0.25  -0.01  -0.23    -0.09   0.00  -0.08
    16   1     0.12  -0.01   0.19     0.17  -0.01   0.26    -0.06   0.01  -0.07
    17   1     0.22  -0.02   0.20     0.31  -0.03   0.29    -0.10   0.00  -0.09
    18   1    -0.06  -0.12   0.17    -0.08  -0.15   0.25     0.02   0.05  -0.06
    19   1    -0.12  -0.21   0.19    -0.13  -0.26   0.25     0.04   0.08  -0.06
    20   1     0.08   0.08  -0.02     0.10   0.10  -0.02    -0.02  -0.03   0.01
    21   1    -0.06  -0.08   0.01    -0.08  -0.10   0.01     0.04   0.04   0.00
    22   1    -0.09  -0.02  -0.02    -0.15  -0.04  -0.03     0.04   0.01   0.01
    23   1     0.10   0.01   0.01     0.13   0.02   0.01    -0.06  -0.01  -0.00
    24   1    -0.13   0.04  -0.03     0.12  -0.03   0.03     0.03  -0.01   0.01
    25   1     0.13  -0.02   0.01    -0.10   0.03  -0.01    -0.06   0.01  -0.00
    26   1     0.10  -0.11  -0.02    -0.07   0.08   0.02    -0.02   0.02   0.01
    27   1    -0.07   0.11   0.01     0.06  -0.08  -0.00     0.04  -0.04   0.00
    28   6     0.03   0.02  -0.01     0.00   0.00   0.00     0.07   0.05  -0.03
    29   7    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.01  -0.01
    30   1     0.00   0.05   0.02     0.00   0.02   0.00     0.02   0.15   0.07
    31   1     0.00  -0.06  -0.02     0.00  -0.02  -0.01     0.01  -0.18  -0.06
    32   1    -0.08   0.09   0.11    -0.02   0.04   0.03    -0.23   0.32   0.30
    33   1    -0.09   0.05   0.05    -0.01   0.02   0.02    -0.24   0.17   0.20
    34   1    -0.09  -0.05   0.06    -0.02   0.00  -0.00    -0.25  -0.16   0.20
    35   1    -0.09  -0.10   0.11    -0.01   0.01   0.01    -0.24  -0.31   0.31
    36   1     0.00  -0.05   0.02     0.00  -0.00   0.00     0.01  -0.15   0.07
    37   1     0.01   0.06  -0.02    -0.00   0.00   0.00     0.01   0.18  -0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1507              1444.8377              1445.3761
 Red. masses --      1.4462                 1.4516                 1.4413
 Frc consts  --      1.7746                 1.7853                 1.7740
 IR Inten    --      3.8377                 0.8426                 2.5602
 RamAct Fr= 1--      0.7333                 0.3239                 0.8210
  Dep-P Fr= 1--      0.7499                 0.7369                 0.7455
  Dep-U Fr= 1--      0.8570                 0.8485                 0.8542
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.1048                 0.0458                 0.1169
 AlphaG Fr= 1--      0.0001                 0.0009                -0.0067
 Gamma2 Fr= 1--      1.2041                -1.2421                 0.3884
 Delta2 Fr= 1--      0.8411                -0.8453                 0.4478
 Raman1 Fr= 1--       2.933                  1.296                  3.284
 ROA1   Fr= 1--     142.507               -146.290                 51.617
 CID1   Fr= 1--      48.582               -112.899                 15.718
 Raman2 Fr= 1--       1.257                  0.550                  1.403
 ROA2   Fr= 1--      22.169                -23.047                  5.739
 CID2   Fr= 1--      17.636                -41.924                  4.092
 Raman3 Fr= 1--       2.514                  1.099                  2.805
 ROA3   Fr= 1--     142.507               -146.290                 51.617
 CID3   Fr= 1--      56.685               -133.052                 18.402
 RC180  Fr= 1--       0.714                  0.697                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.08     0.00   0.01  -0.03    -0.01  -0.03   0.09
     2   6    -0.03   0.01  -0.08     0.01  -0.00   0.04    -0.03   0.01  -0.09
     3   7    -0.01   0.01   0.02     0.00  -0.00  -0.01    -0.01   0.00   0.02
     4  45     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00   0.03    -0.00  -0.00   0.01     0.01   0.00  -0.02
     6   6    -0.03  -0.01  -0.10    -0.01  -0.00  -0.03     0.03   0.01   0.07
     7   6    -0.01   0.04   0.10     0.00   0.01   0.03     0.01  -0.03  -0.08
     8   7    -0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.01   0.02
     9   7    -0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00  -0.01  -0.03
    10   7    -0.00  -0.00   0.00    -0.04  -0.01  -0.00    -0.01  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.10  -0.03  -0.07     0.04  -0.01  -0.02
    12   1     0.09  -0.09  -0.17     0.03  -0.04  -0.05    -0.07   0.10   0.14
    13   1     0.08  -0.28  -0.33     0.02  -0.07  -0.08    -0.08   0.24   0.26
    14   1     0.12  -0.04   0.18     0.02  -0.02   0.07    -0.10   0.02  -0.13
    15   1     0.27   0.06   0.34     0.07   0.04   0.12    -0.21  -0.04  -0.25
    16   1     0.10   0.03   0.15    -0.03  -0.03  -0.08     0.11   0.03   0.15
    17   1     0.23  -0.06   0.29    -0.08   0.04  -0.14     0.24  -0.06   0.29
    18   1     0.08   0.08  -0.15    -0.03  -0.04   0.06     0.09   0.11  -0.16
    19   1     0.08   0.24  -0.29    -0.03  -0.08   0.11     0.11   0.27  -0.31
    20   1    -0.05  -0.07   0.06    -0.00   0.01  -0.02    -0.06  -0.08   0.06
    21   1     0.11   0.08  -0.00    -0.04  -0.03   0.00     0.13   0.11  -0.00
    22   1    -0.08  -0.01  -0.05     0.03   0.00   0.02    -0.07  -0.01  -0.07
    23   1     0.12   0.04   0.01    -0.05  -0.02  -0.00     0.14   0.06   0.00
    24   1    -0.09   0.02  -0.06    -0.02   0.00  -0.02     0.06  -0.01   0.06
    25   1     0.14  -0.05   0.01     0.04  -0.02   0.00    -0.12   0.06  -0.00
    26   1    -0.06   0.08   0.07     0.01   0.00   0.02     0.05  -0.07  -0.05
    27   1     0.12  -0.10  -0.00     0.03  -0.03   0.00    -0.11   0.10   0.00
    28   6    -0.00   0.00   0.00    -0.10  -0.03   0.07    -0.04  -0.01   0.02
    29   7    -0.00   0.00  -0.00     0.03  -0.01   0.00     0.01  -0.00   0.00
    30   1     0.00   0.02  -0.00     0.01   0.20   0.03     0.00   0.06   0.02
    31   1     0.01  -0.01  -0.01     0.06  -0.11  -0.07     0.01  -0.06  -0.02
    32   1     0.00   0.02   0.00    -0.30   0.25   0.37    -0.12   0.09   0.15
    33   1     0.01   0.01   0.01    -0.19   0.16   0.11    -0.08   0.04   0.02
    34   1     0.01  -0.00   0.01     0.20   0.15  -0.11     0.08   0.04  -0.02
    35   1     0.00  -0.02  -0.00     0.31   0.24  -0.37     0.12   0.08  -0.15
    36   1    -0.00  -0.01  -0.00     0.00   0.20  -0.03    -0.00   0.05  -0.02
    37   1     0.00   0.01  -0.00    -0.06  -0.11   0.07    -0.01  -0.06   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8905              1503.4571              1503.9151
 Red. masses --      1.0801                 1.0800                 1.0826
 Frc consts  --      1.4374                 1.4384                 1.4427
 IR Inten    --     32.4558                25.4529                16.8824
 RamAct Fr= 1--      4.2932                 8.7456                 6.9758
  Dep-P Fr= 1--      0.6494                 0.5608                 0.3302
  Dep-U Fr= 1--      0.7874                 0.7186                 0.4965
 Alpha2 Fr= 1--      0.0078                 0.0314                 0.0652
 Beta2  Fr= 1--      0.5634                 1.0475                 0.5772
 AlphaG Fr= 1--      0.0008                 0.0528                 0.0441
 Gamma2 Fr= 1--     -0.6137                 0.3557                -0.4393
 Delta2 Fr= 1--     -1.0149                 0.4751                 0.5909
 Raman1 Fr= 1--      17.173                 34.983                 27.903
 ROA1   Fr= 1--     -91.389                 49.347                -23.260
 CID1   Fr= 1--      -5.322                  1.411                 -0.834
 Raman2 Fr= 1--       6.761                 12.570                  6.926
 ROA2   Fr= 1--      -6.609                  4.735                -15.270
 CID2   Fr= 1--      -0.977                  0.377                 -2.205
 Raman3 Fr= 1--      13.522                 25.140                 13.853
 ROA3   Fr= 1--     -91.389                 49.347                -23.260
 CID3   Fr= 1--      -6.758                  1.963                 -1.679
 RC180  Fr= 1--       0.575                  0.437                 -0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.03  -0.04  -0.05
     2   6    -0.01  -0.00   0.01     0.02  -0.00  -0.02     0.01  -0.00  -0.01
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.01   0.00  -0.02     0.01   0.00  -0.01
     7   6    -0.01   0.02  -0.02    -0.03   0.05  -0.05     0.00  -0.00   0.00
     8   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   7    -0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.01   0.02   0.01
    12   1    -0.05  -0.21   0.14    -0.12  -0.52   0.33     0.00   0.01  -0.01
    13   1     0.22  -0.04   0.11     0.54  -0.13   0.26    -0.01   0.01   0.00
    14   1     0.06   0.05  -0.05    -0.11  -0.08   0.08    -0.11  -0.08   0.09
    15   1     0.07  -0.06  -0.01    -0.05   0.11   0.09    -0.08   0.11   0.07
    16   1     0.06  -0.05  -0.05    -0.12   0.11   0.10    -0.08   0.06   0.06
    17   1     0.07   0.06  -0.02    -0.11  -0.13   0.08    -0.04  -0.08   0.08
    18   1    -0.01   0.07   0.05     0.00  -0.01  -0.01    -0.09   0.50   0.32
    19   1     0.07   0.01   0.04    -0.02  -0.01   0.00     0.52   0.09   0.26
    20   1     0.02   0.01   0.00    -0.01  -0.01   0.01     0.02   0.01  -0.01
    21   1     0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    22   1    -0.01  -0.01   0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.02
    23   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
    24   1    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.03   0.01   0.01
    25   1     0.02   0.01   0.00     0.03   0.02   0.00     0.00   0.01   0.00
    26   1     0.03  -0.02  -0.00     0.00   0.00  -0.02    -0.01   0.01   0.00
    27   1     0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.01  -0.00
    28   6    -0.03   0.02  -0.00     0.02  -0.01   0.00    -0.02   0.02  -0.01
    29   7    -0.00   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.01  -0.01     0.00  -0.00   0.01    -0.01  -0.02  -0.02
    31   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    32   1     0.16   0.46  -0.22    -0.04  -0.09   0.05    -0.03  -0.19   0.05
    33   1     0.42   0.15   0.32    -0.09  -0.03  -0.06    -0.15  -0.05  -0.11
    34   1     0.25  -0.11   0.19    -0.15   0.06  -0.12     0.19  -0.07   0.14
    35   1     0.11  -0.27  -0.16    -0.05   0.17   0.08     0.04  -0.23  -0.08
    36   1    -0.01   0.00  -0.02    -0.00   0.01   0.00     0.00  -0.01   0.02
    37   1     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.1808              1504.5459              1504.6550
 Red. masses --      1.0781                 1.0812                 1.0803
 Frc consts  --      1.4372                 1.4420                 1.4410
 IR Inten    --     17.4289                 4.2720                 4.0652
 RamAct Fr= 1--      5.7323                 6.1408                 9.6149
  Dep-P Fr= 1--      0.4686                 0.7244                 0.6034
  Dep-U Fr= 1--      0.6382                 0.8401                 0.7527
 Alpha2 Fr= 1--      0.0325                 0.0027                 0.0260
 Beta2  Fr= 1--      0.6097                 0.8599                 1.2061
 AlphaG Fr= 1--     -0.0340                 0.0275                 0.0602
 Gamma2 Fr= 1--     -3.1867                 3.0395                -2.0061
 Delta2 Fr= 1--     -1.8425                 1.6644                -0.3733
 Raman1 Fr= 1--      22.929                 24.563                 38.460
 ROA1   Fr= 1--    -364.881                345.056               -204.529
 CID1   Fr= 1--     -15.913                 14.048                 -5.318
 Raman2 Fr= 1--       7.317                 10.318                 14.473
 ROA2   Fr= 1--     -61.740                 59.634                -45.160
 CID2   Fr= 1--      -8.438                  5.779                 -3.120
 Raman3 Fr= 1--      14.633                 20.637                 28.947
 ROA3   Fr= 1--    -364.881                345.056               -204.529
 CID3   Fr= 1--     -24.935                 16.721                 -7.066
 RC180  Fr= 1--       0.276                  0.680                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     2   6     0.04   0.00  -0.03    -0.04  -0.00   0.03    -0.01   0.00   0.01
     3   7     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
     4  45    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     6   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.06  -0.00  -0.04
     7   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    10   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01   0.00
    12   1     0.04   0.15  -0.10    -0.01  -0.03   0.02     0.02   0.06  -0.04
    13   1    -0.17   0.06  -0.06     0.03  -0.00   0.02    -0.09   0.06   0.02
    14   1    -0.04  -0.03   0.03    -0.01  -0.01   0.01    -0.45  -0.35   0.34
    15   1    -0.04   0.04   0.01     0.00   0.01   0.01    -0.41   0.46   0.22
    16   1    -0.29   0.25   0.23     0.31  -0.27  -0.24     0.08  -0.06  -0.06
    17   1    -0.28  -0.30   0.16     0.32   0.32  -0.15     0.06   0.08  -0.05
    18   1    -0.02   0.13   0.08    -0.05   0.24   0.15     0.02  -0.12  -0.08
    19   1     0.13   0.01   0.09     0.28   0.10   0.07    -0.13  -0.02  -0.06
    20   1    -0.01  -0.01   0.00    -0.03  -0.02  -0.03     0.00   0.00   0.00
    21   1     0.00  -0.02   0.00    -0.00   0.05  -0.01    -0.00   0.00   0.00
    22   1     0.01   0.00  -0.01    -0.00   0.00   0.03     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.03  -0.02   0.01    -0.01   0.01  -0.00
    24   1    -0.01   0.00  -0.01    -0.01   0.01   0.01     0.01  -0.00  -0.03
    25   1    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.03  -0.02  -0.01
    26   1     0.02  -0.01   0.02     0.00  -0.00   0.00     0.01  -0.01   0.03
    27   1     0.00   0.02   0.00     0.00   0.00   0.00     0.01   0.05   0.01
    28   6     0.02  -0.03   0.01     0.03  -0.03   0.01    -0.00   0.01  -0.00
    29   7     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    30   1     0.01   0.02   0.03     0.01   0.01   0.03    -0.01  -0.04  -0.01
    31   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
    32   1     0.07   0.33  -0.10     0.01   0.11  -0.01     0.04   0.09  -0.06
    33   1     0.27   0.10   0.21     0.08   0.02   0.06     0.09   0.02   0.06
    34   1    -0.25   0.10  -0.19    -0.31   0.12  -0.23     0.04  -0.03   0.04
    35   1    -0.05   0.32   0.09    -0.09   0.37   0.15     0.02  -0.06  -0.02
    36   1    -0.01   0.04  -0.04     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    37   1     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1639.9358              1656.5006              1656.6707
 Red. masses --      1.0767                 1.0790                 1.0792
 Frc consts  --      1.7061                 1.7444                 1.7451
 IR Inten    --    124.8045                38.2782                17.6612
 RamAct Fr= 1--      0.2585                 4.5357                 8.4053
  Dep-P Fr= 1--      0.7486                 0.7486                 0.7500
  Dep-U Fr= 1--      0.8562                 0.8562                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0369                 0.6473                 1.2007
 AlphaG Fr= 1--     -0.0000                -0.0008                -0.0000
 Gamma2 Fr= 1--      0.0855                 2.5618                 6.1776
 Delta2 Fr= 1--      0.1115                 3.3232                 6.0720
 Raman1 Fr= 1--       1.034                 18.143                 33.621
 ROA1   Fr= 1--      11.779                352.274                787.350
 CID1   Fr= 1--      11.392                 19.417                 23.418
 Raman2 Fr= 1--       0.443                  7.767                 14.409
 ROA2   Fr= 1--       1.162                 34.897                 99.686
 CID2   Fr= 1--       2.624                  4.493                  6.918
 Raman3 Fr= 1--       0.885                 15.535                 28.818
 ROA3   Fr= 1--      11.779                352.274                787.350
 CID3   Fr= 1--      13.305                 22.677                 27.322
 RC180  Fr= 1--       0.712                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.00   0.00   0.01
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     3   7    -0.02   0.01  -0.02     0.01  -0.01   0.01    -0.02   0.02  -0.02
     4  45    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.03  -0.02  -0.03
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     7   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     8   7    -0.00  -0.03  -0.02    -0.00  -0.04  -0.03     0.00   0.01   0.01
     9   7    -0.00   0.02  -0.02     0.00  -0.03   0.02     0.00  -0.02   0.01
    10   7     0.01  -0.01  -0.03     0.01  -0.01  -0.03    -0.00   0.01   0.01
    11   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.01   0.02   0.00    -0.02   0.00   0.02     0.01   0.02  -0.03
    13   1    -0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.00  -0.01
    14   1     0.01  -0.00   0.00     0.01   0.01  -0.02     0.01  -0.02   0.02
    15   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.00
    16   1     0.01   0.00   0.00    -0.01   0.00   0.01     0.01   0.02   0.02
    17   1    -0.01   0.00  -0.00     0.00  -0.01   0.01    -0.02  -0.01  -0.00
    18   1    -0.01  -0.02   0.00     0.01   0.01  -0.01     0.02  -0.01  -0.03
    19   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.00  -0.01
    20   1    -0.06  -0.09   0.29     0.08   0.12  -0.36     0.04   0.06  -0.21
    21   1     0.13  -0.28   0.02    -0.15   0.36  -0.02    -0.09   0.21  -0.01
    22   1     0.08   0.01   0.23    -0.05  -0.00  -0.13     0.13   0.01   0.35
    23   1     0.13  -0.20   0.02    -0.09   0.10  -0.01     0.22  -0.31   0.04
    24   1     0.09  -0.01   0.24    -0.01   0.00  -0.03     0.15  -0.02   0.43
    25   1     0.14   0.20   0.02    -0.01  -0.03  -0.01     0.29   0.37   0.04
    26   1    -0.05   0.10   0.29    -0.08   0.14   0.41     0.01  -0.02  -0.09
    27   1     0.14   0.28   0.02     0.19   0.41   0.03    -0.04  -0.09  -0.01
    28   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    30   1     0.09   0.03   0.29     0.08   0.04   0.26    -0.04  -0.02  -0.11
    31   1    -0.25   0.09   0.15    -0.23   0.08   0.14     0.09  -0.04  -0.06
    32   1     0.00  -0.00  -0.01    -0.01  -0.02   0.02    -0.00   0.00   0.01
    33   1     0.00   0.02   0.01    -0.03   0.01  -0.01    -0.01  -0.00  -0.00
    34   1     0.00  -0.01   0.01     0.03   0.01   0.01     0.01   0.01   0.00
    35   1     0.00   0.00  -0.01     0.01  -0.02  -0.02     0.00  -0.01   0.00
    36   1     0.09  -0.03   0.28    -0.06   0.03  -0.20    -0.07   0.04  -0.24
    37   1    -0.25  -0.08   0.15     0.18   0.05  -0.11     0.21   0.07  -0.12
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1658.5805              1668.9977              1671.3693
 Red. masses --      1.0784                 1.0770                 1.0763
 Frc consts  --      1.7478                 1.7676                 1.7714
 IR Inten    --      0.4562                29.4404                19.4499
 RamAct Fr= 1--      6.9231                 4.6625                 3.2064
  Dep-P Fr= 1--      0.7359                 0.7485                 0.7500
  Dep-U Fr= 1--      0.8479                 0.8562                 0.8571
 Alpha2 Fr= 1--      0.0017                 0.0001                 0.0000
 Beta2  Fr= 1--      0.9783                 0.6653                 0.4581
 AlphaG Fr= 1--     -0.0189                -0.0004                 0.0000
 Gamma2 Fr= 1--    -14.2999                 4.0766                 3.3136
 Delta2 Fr= 1--     -6.4448                 1.1002                 0.1280
 Raman1 Fr= 1--      27.692                 18.650                 12.826
 ROA1   Fr= 1--   -1579.024                426.564                322.199
 CID1   Fr= 1--     -57.020                 22.872                 25.122
 Raman2 Fr= 1--      11.740                  7.984                  5.497
 ROA2   Fr= 1--    -291.640                 89.038                 78.502
 CID2   Fr= 1--     -24.843                 11.152                 14.282
 Raman3 Fr= 1--      23.479                 15.968                 10.993
 ROA3   Fr= 1--   -1579.024                426.564                322.199
 CID3   Fr= 1--     -67.252                 26.714                 29.309
 RC180  Fr= 1--       0.696                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   7    -0.02   0.02  -0.02    -0.02   0.02  -0.03    -0.00   0.00  -0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7     0.02   0.01   0.02     0.02   0.02   0.02    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
     8   7    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00   0.03   0.02
     9   7     0.00  -0.02   0.01    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   7    -0.01   0.01   0.03     0.01  -0.01  -0.03     0.01  -0.01  -0.03
    11   6    -0.01  -0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.01
    12   1    -0.01  -0.00   0.02     0.00  -0.01   0.00     0.01  -0.01  -0.02
    13   1     0.01   0.01   0.01     0.00   0.01   0.01    -0.01   0.00  -0.00
    14   1     0.00   0.02  -0.02    -0.02   0.00  -0.01    -0.01  -0.01   0.02
    15   1     0.00  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1     0.00   0.02   0.03     0.02   0.01   0.01    -0.01   0.01   0.02
    17   1    -0.01  -0.02   0.02    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    18   1     0.01  -0.00  -0.02     0.00  -0.01  -0.01     0.01   0.01  -0.02
    19   1    -0.01   0.01  -0.02    -0.01   0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.03   0.06  -0.23    -0.01  -0.03   0.10     0.06   0.10  -0.34
    21   1    -0.10   0.21  -0.02     0.04  -0.09   0.01    -0.14   0.33  -0.02
    22   1     0.09  -0.00   0.32     0.11  -0.00   0.38     0.00   0.00   0.01
    23   1     0.19  -0.28   0.03     0.23  -0.33   0.04     0.02   0.00  -0.00
    24   1    -0.06  -0.00  -0.26    -0.10  -0.00  -0.36     0.01  -0.00   0.02
    25   1    -0.16  -0.21  -0.03    -0.23  -0.30  -0.04     0.03   0.01   0.00
    26   1    -0.02   0.06   0.22     0.01  -0.04  -0.13     0.05  -0.10  -0.32
    27   1     0.10   0.20   0.01    -0.06  -0.12  -0.01    -0.14  -0.31  -0.02
    28   6     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.01
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.03     0.01   0.01  -0.03
    30   1    -0.10  -0.02  -0.32     0.09   0.04   0.28     0.10   0.03   0.32
    31   1     0.27  -0.09  -0.16    -0.23   0.09   0.14    -0.28   0.10   0.17
    32   1     0.01   0.02  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.01
    33   1     0.02  -0.01   0.00    -0.02   0.01  -0.00     0.01   0.02   0.01
    34   1    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.00  -0.02   0.01
    35   1    -0.01   0.02   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.01
    36   1     0.09  -0.02   0.29    -0.08   0.04  -0.26     0.11  -0.03   0.35
    37   1    -0.25  -0.07   0.15     0.22   0.07  -0.14    -0.30  -0.09   0.18
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3068.8507              3070.7181              3071.1920
 Red. masses --      1.0636                 1.0634                 1.0632
 Frc consts  --      5.9015                 5.9076                 5.9083
 IR Inten    --      5.4920                 5.5694                 5.5354
 RamAct Fr= 1--    229.0277               196.8612               214.9492
  Dep-P Fr= 1--      0.0333                 0.0377                 0.0352
  Dep-U Fr= 1--      0.0644                 0.0727                 0.0680
 Alpha2 Fr= 1--      4.7073                 4.0037                 4.3974
 Beta2  Fr= 1--      2.4567                 2.3848                 2.4379
 AlphaG Fr= 1--     -0.5435                 0.1981                 0.2088
 Gamma2 Fr= 1--     -4.8596                 7.3923                 4.2009
 Delta2 Fr= 1--     -1.8623                 6.2849                 4.2329
 Raman1 Fr= 1--     916.111                787.445                859.797
 ROA1   Fr= 1--    -526.118                910.780                538.736
 CID1   Fr= 1--      -0.574                  1.157                  0.627
 Raman2 Fr= 1--      29.481                 28.618                 29.254
 ROA2   Fr= 1--    -101.733                127.136                 66.958
 CID2   Fr= 1--      -3.451                  4.443                  2.289
 Raman3 Fr= 1--      58.961                 57.236                 58.509
 ROA3   Fr= 1--    -526.118                910.780                538.736
 CID3   Fr= 1--      -8.923                 15.913                  9.208
 RC180  Fr= 1--      -0.871                 -0.855                 -0.864
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.03   0.03
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.01  -0.04
     3   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.04   0.03    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00   0.00    -0.36  -0.03  -0.12     0.00   0.00   0.00
    13   1    -0.01  -0.01   0.01     0.28   0.45  -0.27    -0.00  -0.01   0.00
    14   1     0.00  -0.01  -0.00    -0.13   0.33   0.10     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.01    -0.29  -0.44   0.27     0.01   0.01  -0.01
    16   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.17  -0.36   0.12
    17   1    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.29   0.49   0.29
    18   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.32   0.04  -0.11
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.01     0.23  -0.42  -0.25
    20   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    31   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   1     0.46  -0.00   0.43     0.00   0.00   0.00    -0.02   0.00  -0.01
    33   1     0.04   0.30  -0.24     0.00   0.00  -0.00    -0.00  -0.01   0.01
    34   1    -0.02   0.26   0.21    -0.00   0.01   0.01    -0.00   0.00   0.00
    35   1    -0.42   0.02  -0.39    -0.02   0.00  -0.02    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.6836              3075.9126              3076.3064
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9062                 5.9112                 5.9126
 IR Inten    --      8.4237                 7.5395                 9.6992
 RamAct Fr= 1--     37.0272                33.9868                50.4869
  Dep-P Fr= 1--      0.7338                 0.7467                 0.6999
  Dep-U Fr= 1--      0.8465                 0.8550                 0.8235
 Alpha2 Fr= 1--      0.0102                 0.0019                 0.0441
 Beta2  Fr= 1--      5.2239                 4.8430                 6.9290
 AlphaG Fr= 1--     -0.0012                 0.0007                -0.0032
 Gamma2 Fr= 1--      9.4141                -6.1505                -7.8256
 Delta2 Fr= 1--      5.7587                -4.3838                -5.3764
 Raman1 Fr= 1--     148.109                135.947                201.947
 ROA1   Fr= 1--    1088.026               -730.727               -923.304
 CID1   Fr= 1--       7.346                 -5.375                 -4.572
 Raman2 Fr= 1--      62.687                 58.116                 83.147
 ROA2   Fr= 1--     179.868               -112.541               -144.804
 CID2   Fr= 1--       2.869                 -1.936                 -1.742
 Raman3 Fr= 1--     125.374                116.233                166.295
 ROA3   Fr= 1--    1088.026               -730.727               -923.304
 CID3   Fr= 1--       8.678                 -6.287                 -5.552
 RC180  Fr= 1--       0.693                  0.710                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.02  -0.03  -0.04
     2   6    -0.00   0.00   0.00     0.01   0.00  -0.01     0.03   0.01  -0.03
     3   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04  -0.01  -0.03    -0.01   0.00   0.01
     7   6    -0.00   0.00  -0.00    -0.02   0.03  -0.03     0.00  -0.01   0.01
     8   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.03   0.03   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00     0.48   0.03   0.15    -0.09  -0.01  -0.03
    13   1    -0.01  -0.01   0.01    -0.22  -0.36   0.22     0.04   0.07  -0.04
    14   1     0.00  -0.00  -0.00    -0.19   0.44   0.14     0.03  -0.08  -0.02
    15   1     0.00   0.00  -0.00    -0.24  -0.37   0.23     0.04   0.07  -0.04
    16   1     0.00   0.01  -0.00    -0.03  -0.07   0.02    -0.19  -0.39   0.12
    17   1     0.01  -0.01  -0.01    -0.04   0.06   0.04    -0.19   0.33   0.20
    18   1     0.01  -0.00   0.00     0.09  -0.01   0.03     0.52  -0.05   0.17
    19   1    -0.01   0.01   0.01    -0.04   0.07   0.04    -0.23   0.40   0.24
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    28   6     0.04  -0.04   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.35   0.00  -0.32     0.01  -0.00   0.01    -0.00   0.00  -0.00
    33   1    -0.05  -0.37   0.29     0.00   0.01  -0.00    -0.00   0.00  -0.00
    34   1    -0.03   0.40   0.32     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   1    -0.39   0.01  -0.36     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.5617              3116.3029              3116.5435
 Red. masses --      1.1071                 1.1076                 1.1078
 Frc consts  --      6.3315                 6.3376                 6.3394
 IR Inten    --      8.9964                10.0790                 4.5510
 RamAct Fr= 1--    134.6031               126.7143               140.2445
  Dep-P Fr= 1--      0.4495                 0.5937                 0.2384
  Dep-U Fr= 1--      0.6202                 0.7450                 0.3851
 Alpha2 Fr= 1--      0.8269                 0.3683                 1.7165
 Beta2  Fr= 1--     13.9135                15.7343                 9.0002
 AlphaG Fr= 1--      0.1547                -0.1732                -0.8366
 Gamma2 Fr= 1--    -28.3073                -4.6606                59.7440
 Delta2 Fr= 1--    -20.1251               -19.8839                33.2959
 Raman1 Fr= 1--     538.412                506.857                560.978
 ROA1   Fr= 1--   -3361.503              -1083.700               6800.891
 CID1   Fr= 1--      -6.243                 -2.138                 12.123
 Raman2 Fr= 1--     166.962                188.811                108.002
 ROA2   Fr= 1--    -518.374                 47.218               1167.488
 CID2   Fr= 1--      -3.105                  0.250                 10.810
 Raman3 Fr= 1--     333.924                377.622                216.005
 ROA3   Fr= 1--   -3361.503              -1083.700               6800.891
 CID3   Fr= 1--     -10.067                 -2.870                 31.485
 RC180  Fr= 1--       0.240                  0.490                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.02   0.00    -0.01  -0.06   0.00
     3   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.06   0.00     0.00  -0.02  -0.00
     7   6     0.00   0.00   0.00    -0.06  -0.02  -0.00     0.02   0.01   0.00
     8   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.03  -0.00  -0.01     0.52   0.02   0.18    -0.20  -0.01  -0.07
    13   1    -0.01  -0.02   0.01     0.16   0.26  -0.17    -0.06  -0.10   0.06
    14   1    -0.01   0.03   0.01     0.22  -0.49  -0.17    -0.08   0.19   0.07
    15   1     0.01   0.02  -0.01    -0.17  -0.25   0.16     0.06   0.09  -0.06
    16   1     0.01   0.02  -0.01     0.09   0.19  -0.07     0.25   0.49  -0.17
    17   1    -0.01   0.01   0.01    -0.06   0.10   0.06    -0.16   0.26   0.17
    18   1     0.03  -0.00   0.01     0.19  -0.02   0.07     0.50  -0.04   0.18
    19   1     0.01  -0.01  -0.01     0.06  -0.10  -0.06     0.14  -0.27  -0.16
    20   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    28   6    -0.02  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.27  -0.00  -0.24    -0.01  -0.00  -0.01     0.02   0.00   0.02
    33   1     0.08   0.48  -0.37     0.00   0.02  -0.02    -0.01  -0.03   0.03
    34   1    -0.06   0.47   0.36    -0.00   0.02   0.01     0.00  -0.03  -0.02
    35   1     0.26  -0.02   0.23     0.01  -0.00   0.01    -0.02   0.00  -0.02
    36   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5685              3126.8136              3127.1841
 Red. masses --      1.1102                 1.1101                 1.1101
 Frc consts  --      6.3901                 6.3949                 6.3960
 IR Inten    --      4.5984                 2.6386                 3.6640
 RamAct Fr= 1--     48.5821                53.8899                44.4947
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      6.9402                 7.6977                 6.3562
 AlphaG Fr= 1--      0.0000                 0.0008                 0.0004
 Gamma2 Fr= 1--     27.5170               -34.7459               -28.6969
 Delta2 Fr= 1--      5.4391                -5.1714                -4.1266
 Raman1 Fr= 1--     194.328                215.560                177.979
 ROA1   Fr= 1--    2815.679              -3501.086              -2886.953
 CID1   Fr= 1--      14.489                -16.242                -16.221
 Raman2 Fr= 1--      83.282                 92.373                 76.275
 ROA2   Fr= 1--     616.894               -792.530               -655.713
 CID2   Fr= 1--       7.407                 -8.580                 -8.597
 Raman3 Fr= 1--     166.565                184.746                152.549
 ROA3   Fr= 1--    2815.679              -3501.086              -2886.953
 CID3   Fr= 1--      16.904                -18.951                -18.925
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.06   0.04   0.01
     2   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.07   0.01
     3   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.07   0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00    -0.06  -0.03   0.01    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.03  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.02   0.00   0.01     0.46   0.02   0.16     0.04   0.00   0.01
    13   1     0.01   0.01  -0.01     0.23   0.38  -0.24     0.02   0.03  -0.02
    14   1    -0.01   0.02   0.01    -0.19   0.43   0.15    -0.02   0.04   0.01
    15   1     0.01   0.01  -0.01     0.24   0.36  -0.24     0.02   0.03  -0.02
    16   1    -0.01  -0.01   0.00     0.02   0.03  -0.01    -0.20  -0.41   0.14
    17   1     0.01  -0.01  -0.01    -0.02   0.03   0.02     0.22  -0.36  -0.23
    18   1     0.01  -0.00   0.00    -0.04   0.00  -0.01     0.46  -0.04   0.16
    19   1     0.01  -0.01  -0.01    -0.02   0.04   0.02     0.22  -0.41  -0.25
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    21   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.02   0.01
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.03  -0.03  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.36   0.00   0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    33   1    -0.07  -0.39   0.30     0.00   0.01  -0.01     0.00   0.01  -0.01
    34   1    -0.05   0.40   0.31     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    35   1     0.37  -0.02   0.33    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.7968              3431.9090              3432.9512
 Red. masses --      1.0521                 1.0524                 1.0525
 Frc consts  --      7.2965                 7.3032                 7.3084
 IR Inten    --     57.2342                43.1794                29.0205
 RamAct Fr= 1--      6.5655                31.7678                28.7032
  Dep-P Fr= 1--      0.7141                 0.1827                 0.1004
  Dep-U Fr= 1--      0.8332                 0.3089                 0.1824
 Alpha2 Fr= 1--      0.0041                 0.4515                 0.5021
 Beta2  Fr= 1--      0.9117                 1.6356                 0.8728
 AlphaG Fr= 1--      0.0015                 0.1212                 0.5730
 Gamma2 Fr= 1--      9.5531                 4.1606                 6.2384
 Delta2 Fr= 1--     -0.4348                 2.4539                -2.0307
 Raman1 Fr= 1--      26.262                127.071                114.813
 ROA1   Fr= 1--     903.186                477.941                533.904
 CID1   Fr= 1--      34.392                  3.761                  4.650
 Raman2 Fr= 1--      10.940                 19.627                 10.473
 ROA2   Fr= 1--     232.753                 80.222                165.968
 CID2   Fr= 1--      21.275                  4.087                 15.847
 Raman3 Fr= 1--      21.881                 39.255                 20.947
 ROA3   Fr= 1--     903.186                477.941                533.904
 CID3   Fr= 1--      41.278                 12.175                 25.488
 RC180  Fr= 1--       0.666                 -0.382                 -0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   7     0.00  -0.00   0.01    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.01  -0.01
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7    -0.02  -0.03  -0.03     0.01   0.02   0.02     0.01   0.02   0.01
     9   7    -0.01   0.03  -0.02    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    10   7    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01   0.00   0.03
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    18   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    20   1     0.27  -0.38  -0.10     0.25  -0.35  -0.09     0.13  -0.18  -0.05
    21   1    -0.09   0.02   0.44    -0.08   0.02   0.41    -0.04   0.01   0.21
    22   1    -0.03   0.08   0.01     0.12  -0.27  -0.05    -0.16   0.39   0.07
    23   1    -0.00  -0.02  -0.08     0.01   0.06   0.28    -0.01  -0.08  -0.37
    24   1    -0.03  -0.06   0.01    -0.12  -0.25   0.05     0.05   0.10  -0.02
    25   1    -0.00   0.01  -0.06    -0.01   0.06  -0.26     0.00  -0.02   0.09
    26   1     0.32   0.42  -0.11    -0.23  -0.29   0.08    -0.17  -0.22   0.06
    27   1    -0.10  -0.02   0.49     0.07   0.01  -0.35     0.05   0.01  -0.25
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
    30   1     0.03  -0.00  -0.01    -0.07   0.01   0.02     0.36  -0.06  -0.08
    31   1    -0.02   0.00  -0.03     0.04  -0.01   0.07    -0.23   0.05  -0.37
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   1     0.03   0.00  -0.01     0.08   0.01  -0.02    -0.17  -0.02   0.04
    37   1    -0.02  -0.00  -0.03    -0.05  -0.01  -0.08     0.11   0.02   0.17
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.1145              3433.9272              3434.9751
 Red. masses --      1.0525                 1.0528                 1.0527
 Frc consts  --      7.3087                 7.3146                 7.3180
 IR Inten    --    113.8432                10.1638                 0.2106
 RamAct Fr= 1--      3.4279                16.3268               367.7476
  Dep-P Fr= 1--      0.1608                 0.7129                 0.0106
  Dep-U Fr= 1--      0.2770                 0.8324                 0.0209
 Alpha2 Fr= 1--      0.0516                 0.0105                 7.9728
 Beta2  Fr= 1--      0.1583                 2.2651                 1.2813
 AlphaG Fr= 1--      0.0713                -0.0021                 0.2956
 Gamma2 Fr= 1--      1.8163                -7.5484               -15.6552
 Delta2 Fr= 1--     -0.2842                -0.8150                -2.0177
 Raman1 Fr= 1--      13.711                 65.307               1470.990
 ROA1   Fr= 1--     165.275               -750.721              -1567.464
 CID1   Fr= 1--      12.054                -11.495                 -1.066
 Raman2 Fr= 1--       1.899                 27.181                 15.376
 ROA2   Fr= 1--      45.866               -174.641               -359.584
 CID2   Fr= 1--      24.148                 -6.425                -23.386
 Raman3 Fr= 1--       3.799                 54.362                 30.752
 ROA3   Fr= 1--     165.275               -750.721              -1567.464
 CID3   Fr= 1--      43.509                -13.810                -50.971
 RC180  Fr= 1--      -0.446                  0.665                 -0.958
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   7    -0.01   0.01  -0.01     0.01  -0.02   0.02    -0.01   0.02  -0.02
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.02  -0.02  -0.02     0.01   0.02   0.02     0.01   0.02   0.02
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     9   7    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.01
    10   7     0.00  -0.00  -0.01     0.01  -0.00  -0.03    -0.01   0.00   0.03
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.10  -0.14  -0.03    -0.01   0.02   0.00    -0.09   0.13   0.03
    21   1    -0.03   0.01   0.15     0.00  -0.00  -0.02     0.03  -0.01  -0.13
    22   1     0.10  -0.23  -0.04    -0.13   0.30   0.06     0.12  -0.28  -0.05
    23   1     0.01   0.05   0.22    -0.01  -0.06  -0.29     0.01   0.06   0.26
    24   1     0.20   0.42  -0.08    -0.14  -0.30   0.06    -0.15  -0.30   0.06
    25   1     0.01  -0.09   0.41    -0.01   0.07  -0.30    -0.01   0.06  -0.29
    26   1    -0.01  -0.01   0.00    -0.02  -0.02   0.01     0.09   0.12  -0.03
    27   1     0.00   0.00  -0.02     0.01   0.00  -0.02    -0.03  -0.00   0.12
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   7     0.01   0.00  -0.03     0.01   0.00  -0.03     0.01   0.00  -0.03
    30   1    -0.15   0.02   0.04    -0.36   0.06   0.08     0.32  -0.05  -0.07
    31   1     0.10  -0.02   0.15     0.24  -0.05   0.37    -0.21   0.04  -0.32
    32   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.01
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    34   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.01
    36   1    -0.38  -0.04   0.09    -0.32  -0.04   0.07    -0.34  -0.04   0.08
    37   1     0.25   0.04   0.38     0.21   0.03   0.32     0.22   0.03   0.34
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6677              3480.9021              3481.4934
 Red. masses --      1.0931                 1.0930                 1.0929
 Frc consts  --      7.8024                 7.8026                 7.8049
 IR Inten    --      3.8485                27.7264                86.2970
 RamAct Fr= 1--     10.3741                 5.3292                 2.3293
  Dep-P Fr= 1--      0.7494                 0.6953                 0.6848
  Dep-U Fr= 1--      0.8567                 0.8202                 0.8129
 Alpha2 Fr= 1--      0.0001                 0.0051                 0.0027
 Beta2  Fr= 1--      1.4813                 0.7285                 0.3156
 AlphaG Fr= 1--     -0.0005                -0.0280                -0.0066
 Gamma2 Fr= 1--    -15.3014                 2.1340                -2.3752
 Delta2 Fr= 1--      5.3186                 1.9230                -1.2892
 Raman1 Fr= 1--      41.496                 21.317                  9.317
 ROA1   Fr= 1--   -1298.742                266.398               -269.272
 CID1   Fr= 1--     -31.298                 12.497                -28.901
 Raman2 Fr= 1--      17.775                  8.743                  3.787
 ROA2   Fr= 1--    -409.784                 35.832                -46.692
 CID2   Fr= 1--     -23.053                  4.099                -12.330
 Raman3 Fr= 1--      35.551                 17.485                  7.574
 ROA3   Fr= 1--   -1298.742                266.398               -269.272
 CID3   Fr= 1--     -36.532                 15.236                -35.553
 RC180  Fr= 1--       0.713                  0.640                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   7     0.01  -0.03  -0.04     0.00  -0.01  -0.01    -0.01   0.02   0.03
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7     0.01   0.02  -0.02    -0.01  -0.03   0.03    -0.01  -0.02   0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   7    -0.02  -0.02   0.04    -0.02  -0.02   0.03    -0.02  -0.02   0.03
     9   7    -0.01   0.01   0.02     0.03  -0.03  -0.04    -0.01   0.01   0.02
    10   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.00  -0.01
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.01   0.00     0.01   0.01  -0.01     0.00   0.01  -0.00
    16   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.01   0.01   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    20   1     0.12  -0.17  -0.03    -0.29   0.40   0.08     0.11  -0.16  -0.03
    21   1     0.04  -0.00  -0.21    -0.09   0.01   0.52     0.04  -0.00  -0.22
    22   1    -0.16   0.39   0.05    -0.06   0.15   0.02     0.12  -0.28  -0.04
    23   1     0.02   0.08   0.46     0.01   0.03   0.16    -0.02  -0.06  -0.33
    24   1    -0.11  -0.22   0.03     0.14   0.30  -0.04     0.09   0.19  -0.03
    25   1     0.01  -0.05   0.27    -0.01   0.06  -0.35    -0.01   0.04  -0.24
    26   1     0.25   0.32  -0.06     0.17   0.22  -0.04     0.18   0.23  -0.05
    27   1     0.07   0.00  -0.44     0.05   0.00  -0.30     0.06   0.00  -0.33
    28   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    30   1     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.26  -0.04  -0.07
    31   1     0.02  -0.00   0.03    -0.02   0.00  -0.03     0.11  -0.03   0.20
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.01
    36   1     0.04   0.00  -0.01    -0.01  -0.00   0.00     0.38   0.04  -0.11
    37   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.17   0.03   0.29
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.9790              3482.5007              3482.6205
 Red. masses --      1.0926                 1.0926                 1.0926
 Frc consts  --      7.8051                 7.8068                 7.8075
 IR Inten    --      2.4113                33.8471                48.2990
 RamAct Fr= 1--     35.3333                57.7061                42.1135
  Dep-P Fr= 1--      0.6067                 0.7488                 0.7482
  Dep-U Fr= 1--      0.7552                 0.8563                 0.8560
 Alpha2 Fr= 1--      0.0934                 0.0012                 0.0013
 Beta2  Fr= 1--      4.4475                 8.2359                 6.0081
 AlphaG Fr= 1--     -0.0197                -0.0604                -0.0523
 Gamma2 Fr= 1--    -80.6891                59.1644                42.1485
 Delta2 Fr= 1--    -22.0225                 8.9715                 5.6270
 Raman1 Fr= 1--     141.333                230.824                168.454
 ROA1   Fr= 1--   -8450.874               5966.870               4226.321
 CID1   Fr= 1--     -59.794                 25.850                 25.089
 Raman2 Fr= 1--      53.370                 98.831                 72.097
 ROA2   Fr= 1--   -1760.358               1348.173                966.548
 CID2   Fr= 1--     -32.984                 13.641                 13.406
 Raman3 Fr= 1--     106.739                197.661                144.194
 ROA3   Fr= 1--   -8450.874               5966.870               4226.321
 CID3   Fr= 1--     -79.173                 30.187                 29.310
 RC180  Fr= 1--       0.510                  0.713                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7     0.00  -0.01  -0.02     0.01  -0.03  -0.03    -0.00   0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.02   0.03    -0.00  -0.01   0.01     0.01   0.03  -0.03
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   7     0.01   0.01  -0.01     0.02   0.02  -0.03     0.00   0.00  -0.00
     9   7    -0.01   0.01   0.02    -0.00  -0.00   0.00     0.02  -0.02  -0.03
    10   7    -0.05   0.01  -0.02    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    11   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    20   1     0.09  -0.13  -0.03     0.00   0.00   0.00    -0.18   0.26   0.05
    21   1     0.03  -0.00  -0.18     0.00  -0.00  -0.01    -0.06   0.00   0.35
    22   1    -0.07   0.17   0.02    -0.13   0.30   0.04     0.02  -0.05  -0.01
    23   1     0.01   0.04   0.21     0.02   0.06   0.37    -0.00  -0.01  -0.06
    24   1     0.12   0.26  -0.04     0.06   0.12  -0.02    -0.15  -0.31   0.04
    25   1    -0.01   0.05  -0.32    -0.01   0.02  -0.14     0.02  -0.07   0.40
    26   1    -0.07  -0.09   0.02    -0.19  -0.24   0.05    -0.03  -0.04   0.01
    27   1    -0.02  -0.00   0.12    -0.06  -0.00   0.34    -0.01   0.00   0.05
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   7     0.04   0.00   0.01    -0.05  -0.01  -0.02    -0.01  -0.00  -0.00
    30   1     0.47  -0.07  -0.13     0.03  -0.00  -0.01     0.48  -0.07  -0.14
    31   1     0.20  -0.05   0.35     0.01  -0.00   0.02     0.21  -0.05   0.38
    32   1     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
    33   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    35   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    36   1    -0.35  -0.04   0.10     0.50   0.05  -0.14     0.10   0.01  -0.03
    37   1    -0.15  -0.03  -0.26     0.23   0.04   0.39     0.04   0.01   0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  7 and mass  14.00307
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2573.971562610.576283843.64264
           X            1.00000  -0.00052  -0.00033
           Y            0.00052   1.00000   0.00001
           Z            0.00033  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03365     0.03318     0.02253
 Rotational constants (GHZ):           0.70115     0.69132     0.46954
 Zero-point vibrational energy     925981.6 (Joules/Mol)
                                  221.31492 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    121.13   126.52   146.45   207.96   208.88
          (Kelvin)            234.63   309.72   313.44   318.79   359.51
                              417.78   435.00   441.07   474.88   477.00
                              576.66   578.43   581.77   662.68   667.75
                              724.59   768.36   782.28   804.18   979.22
                              987.22  1028.71  1068.34  1072.44  1104.84
                             1246.32  1246.42  1248.31  1250.17  1255.52
                             1257.55  1412.45  1414.40  1415.03  1436.63
                             1439.93  1451.24  1508.14  1509.04  1511.21
                             1599.42  1609.80  1610.51  1684.28  1686.57
                             1711.83  1760.29  1764.39  1790.93  1859.32
                             1859.77  1866.53  1915.67  1918.93  1928.42
                             1938.76  1940.42  1943.00  2020.98  2022.02
                             2024.24  2076.37  2078.80  2079.57  2162.32
                             2163.14  2163.80  2164.18  2164.71  2164.86
                             2359.50  2383.33  2383.58  2386.33  2401.32
                             2404.73  4415.39  4418.08  4418.76  4423.78
                             4425.55  4426.12  4482.60  4483.66  4484.01
                             4497.00  4498.79  4499.32  4936.15  4937.75
                             4939.25  4939.49  4940.66  4942.16  5007.90
                             5008.24  5009.09  5009.79  5010.54  5010.71
 
 Zero-point correction=                           0.352688 (Hartree/Particle)
 Thermal correction to Energy=                    0.367694
 Thermal correction to Enthalpy=                  0.368638
 Thermal correction to Gibbs Free Energy=         0.312213
 Sum of electronic and zero-point Energies=           -681.282782
 Sum of electronic and thermal Energies=              -681.267775
 Sum of electronic and thermal Enthalpies=            -681.266831
 Sum of electronic and thermal Free Energies=         -681.323256
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.732             60.537            118.757
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.624
 Vibrational            228.954             54.575             44.313
 Vibration     1          0.601              1.960              3.791
 Vibration     2          0.601              1.958              3.706
 Vibration     3          0.604              1.948              3.420
 Vibration     4          0.616              1.909              2.743
 Vibration     5          0.617              1.908              2.734
 Vibration     6          0.623              1.888              2.514
 Vibration     7          0.645              1.818              1.999
 Vibration     8          0.646              1.814              1.977
 Vibration     9          0.648              1.808              1.946
 Vibration    10          0.663              1.763              1.731
 Vibration    11          0.686              1.692              1.472
 Vibration    12          0.694              1.669              1.404
 Vibration    13          0.697              1.661              1.381
 Vibration    14          0.713              1.615              1.260
 Vibration    15          0.714              1.613              1.253
 Vibration    16          0.767              1.468              0.960
 Vibration    17          0.768              1.466              0.955
 Vibration    18          0.770              1.461              0.947
 Vibration    19          0.818              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.859              1.242              0.649
 Vibration    22          0.889              1.175              0.578
 Vibration    23          0.899              1.153              0.557
 Vibration    24          0.915              1.120              0.526
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.246609-143       -143.607991       -330.669620
 Total V=0       0.413979D+19         18.616978         42.867176
 Vib (Bot)       0.723990-158       -158.140268       -364.131423
 Vib (Bot)    1  0.244454D+01          0.388197          0.893857
 Vib (Bot)    2  0.233900D+01          0.369030          0.849723
 Vib (Bot)    3  0.201551D+01          0.304384          0.700871
 Vib (Bot)    4  0.140501D+01          0.147681          0.340047
 Vib (Bot)    5  0.139859D+01          0.145690          0.335465
 Vib (Bot)    6  0.123851D+01          0.092899          0.213909
 Vib (Bot)    7  0.920700D+00         -0.035882         -0.082621
 Vib (Bot)    8  0.908802D+00         -0.041531         -0.095628
 Vib (Bot)    9  0.892156D+00         -0.049559         -0.114114
 Vib (Bot)   10  0.781136D+00         -0.107274         -0.247006
 Vib (Bot)   11  0.658450D+00         -0.181477         -0.417866
 Vib (Bot)   12  0.628179D+00         -0.201916         -0.464930
 Vib (Bot)   13  0.618056D+00         -0.208972         -0.481176
 Vib (Bot)   14  0.566075D+00         -0.247126         -0.569028
 Vib (Bot)   15  0.563059D+00         -0.249446         -0.574371
 Vib (Bot)   16  0.444447D+00         -0.352180         -0.810925
 Vib (Bot)   17  0.442681D+00         -0.353909         -0.814906
 Vib (Bot)   18  0.439390D+00         -0.357150         -0.822369
 Vib (Bot)   19  0.369108D+00         -0.432847         -0.996667
 Vib (Bot)   20  0.365231D+00         -0.437432         -1.007225
 Vib (Bot)   21  0.325296D+00         -0.487721         -1.123019
 Vib (Bot)   22  0.298346D+00         -0.525279         -1.209500
 Vib (Bot)   23  0.290369D+00         -0.537050         -1.236604
 Vib (Bot)   24  0.278359D+00         -0.555395         -1.278844
 Vib (V=0)       0.121535D+05          4.084702          9.405373
 Vib (V=0)    1  0.299515D+01          0.476419          1.096994
 Vib (V=0)    2  0.289184D+01          0.461175          1.061894
 Vib (V=0)    3  0.257660D+01          0.411047          0.946471
 Vib (V=0)    4  0.199133D+01          0.299143          0.688803
 Vib (V=0)    5  0.198528D+01          0.297822          0.685760
 Vib (V=0)    6  0.183563D+01          0.263785          0.607387
 Vib (V=0)    7  0.154771D+01          0.189689          0.436774
 Vib (V=0)    8  0.153727D+01          0.186749          0.430005
 Vib (V=0)    9  0.152271D+01          0.182618          0.420494
 Vib (V=0)   10  0.142746D+01          0.154562          0.355893
 Vib (V=0)   11  0.132677D+01          0.122797          0.282751
 Vib (V=0)   12  0.130288D+01          0.114903          0.264574
 Vib (V=0)   13  0.129498D+01          0.112263          0.258495
 Vib (V=0)   14  0.125528D+01          0.098739          0.227355
 Vib (V=0)   15  0.125302D+01          0.097957          0.225555
 Vib (V=0)   16  0.116898D+01          0.067807          0.156131
 Vib (V=0)   17  0.116781D+01          0.067371          0.155128
 Vib (V=0)   18  0.116563D+01          0.066561          0.153262
 Vib (V=0)   19  0.112148D+01          0.049792          0.114651
 Vib (V=0)   20  0.111919D+01          0.048903          0.112603
 Vib (V=0)   21  0.109650D+01          0.040010          0.092127
 Vib (V=0)   22  0.108225D+01          0.034326          0.079039
 Vib (V=0)   23  0.107820D+01          0.032699          0.075292
 Vib (V=0)   24  0.107226D+01          0.030301          0.069770
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181923D+07          6.259887         14.413923
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006088    0.000012393   -0.000029127
      2        6          -0.000010412    0.000020222   -0.000034694
      3        7           0.000015876    0.000014806   -0.000008825
      4       45          -0.000147600    0.000110840    0.000102558
      5        7           0.000059605   -0.000019709   -0.000018586
      6        6           0.000014122   -0.000007460    0.000008579
      7        6           0.000002758    0.000001907   -0.000008789
      8        7           0.000029479   -0.000028418   -0.000008724
      9        7          -0.000000888   -0.000028104   -0.000013477
     10        7           0.000010204   -0.000014395    0.000052549
     11        6          -0.000007777   -0.000026181   -0.000004356
     12        1           0.000001921    0.000000267   -0.000006840
     13        1           0.000000492   -0.000007520    0.000003449
     14        1          -0.000002219    0.000001846   -0.000003140
     15        1          -0.000004731    0.000006858    0.000010442
     16        1           0.000002366   -0.000000071    0.000004905
     17        1          -0.000008382    0.000001925    0.000022934
     18        1          -0.000001403   -0.000000853    0.000006386
     19        1          -0.000012893    0.000022904    0.000006771
     20        1           0.000034521    0.000012632    0.000013881
     21        1           0.000013770   -0.000002426    0.000003623
     22        1           0.000008119    0.000021941   -0.000013458
     23        1          -0.000012768   -0.000006964   -0.000017925
     24        1           0.000008942   -0.000011910   -0.000009158
     25        1          -0.000000027   -0.000006176   -0.000006194
     26        1           0.000070267   -0.000031160    0.000022512
     27        1           0.000016582    0.000000349    0.000004700
     28        6           0.000000779   -0.000008409   -0.000004398
     29        7          -0.000017702    0.000033792   -0.000003405
     30        1          -0.000007599   -0.000007372   -0.000002012
     31        1          -0.000018064   -0.000004230   -0.000029566
     32        1          -0.000016680   -0.000003441   -0.000034098
     33        1          -0.000002897   -0.000000294   -0.000001814
     34        1           0.000001088   -0.000001170    0.000000741
     35        1          -0.000004516   -0.000015381    0.000006992
     36        1          -0.000001203   -0.000031990   -0.000012591
     37        1          -0.000007043    0.000000951    0.000000152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000147600 RMS     0.000026321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153464D+03 -0.969045D-02 -0.515867D-01
      2  -0.969045D-02  0.152324D+03  0.375667D-03
      3  -0.515867D-01  0.375667D-03  0.124393D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.181128D+00  0.151823D+00  0.154199D+01
      2   0.667253D-01  0.359325D+01 -0.327517D-01
      3   0.203334D+01 -0.819166D-01 -0.576673D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.620399D+01 -0.950912D+02 -0.164485D+00
      2   0.633621D+01  0.101271D+03  0.156549D+00
      3  -0.132220D+00 -0.617952D+01  0.793528D-02
      4  -0.929940D+02  0.636079D+01 -0.472620D+01
      5  -0.163304D+00  0.868833D+00 -0.240788D+00
      6  -0.869540D+01  0.134473D+00 -0.938765D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.732526D+01  0.558864D+00  0.373581D+01 -0.114314D+01 -0.297347D+01
      2   0.558864D+00 -0.262975D+01 -0.152391D+00 -0.297347D+01  0.850032D+00
      3   0.373581D+01 -0.152391D+00  0.448225D+00 -0.885381D+00  0.226871D+01
                 6             7             8             9            10 
      1  -0.885381D+00  0.334671D+01 -0.224439D+00  0.663224D+00 -0.141592D+01
      2   0.226871D+01 -0.224439D+00  0.173097D+01  0.119698D+01  0.551128D+00
      3   0.111793D+01  0.663224D+00  0.119698D+01 -0.719738D+00 -0.227849D+01
                11            12            13            14            15 
      1   0.551128D+00 -0.227849D+01  0.183718D+01  0.533002D+01 -0.748615D+00
      2   0.405759D+01  0.176699D-01  0.533002D+01  0.258704D+01 -0.360092D+01
      3   0.176699D-01  0.909316D+00 -0.748615D+00 -0.360092D+01 -0.328459D+00
                16            17            18            19            20 
      1  -0.201591D+01 -0.577029D+00  0.115698D+01 -0.182242D+01 -0.358798D+01
      2  -0.577029D+00 -0.300117D+01 -0.187195D+00 -0.358798D+01 -0.619971D+01
      3   0.115698D+01 -0.187195D+00  0.825724D+00  0.330450D+01  0.238977D+01
                21            22            23            24            25 
      1   0.330450D+01 -0.191025D+01 -0.424987D+01  0.140014D+01  0.211289D+01
      2   0.238977D+01 -0.424987D+01 -0.304791D+01  0.289240D+01  0.135438D+01
      3  -0.143288D+01  0.140014D+01  0.289240D+01 -0.176447D+01 -0.115893D+01
                26            27            28            29            30 
      1   0.135438D+01 -0.115893D+01  0.652181D-01  0.162559D+01 -0.559704D-02
      2   0.320465D+01 -0.189585D+01  0.162559D+01 -0.140014D+00 -0.161649D+01
      3  -0.189585D+01 -0.154797D+01 -0.559704D-02 -0.161649D+01 -0.732009D-02
                31            32            33            34            35 
      1   0.165397D+01 -0.118624D+00  0.185160D+01 -0.145196D-01 -0.596345D-01
      2  -0.118624D+00 -0.197208D+01 -0.303168D-02 -0.596345D-01 -0.915093D-03
      3   0.185160D+01 -0.303168D-02  0.186631D+00 -0.286817D-02  0.984366D-01
                36            37            38            39            40 
      1  -0.286817D-02  0.140574D+01 -0.319406D+01 -0.313320D+01 -0.159326D+01
      2   0.984366D-01 -0.319406D+01  0.634083D+01  0.239478D+01  0.430615D+01
      3  -0.462804D-02 -0.313320D+01  0.239478D+01  0.135184D+01  0.140037D+01
                41            42            43            44            45 
      1   0.430615D+01  0.140037D+01 -0.201040D+01  0.130196D+01  0.107223D+01
      2  -0.370145D+01 -0.305876D+01  0.130196D+01 -0.333555D+01 -0.193817D+01
      3  -0.305876D+01 -0.181782D+01  0.107223D+01 -0.193817D+01  0.154828D+01
                46            47            48            49            50 
      1   0.151255D+01  0.621756D-01  0.225578D+01  0.131427D+01 -0.528295D+01
      2   0.621756D-01 -0.391818D+01  0.764412D-01 -0.528295D+01  0.320504D+01
      3   0.225578D+01  0.764412D-01 -0.926716D+00 -0.687083D+00  0.363086D+01
                51            52            53            54            55 
      1  -0.687083D+00  0.199049D+01 -0.528666D+00 -0.117227D+01 -0.722685D+01
      2   0.363086D+01 -0.528666D+00  0.305406D+01 -0.155492D+00  0.109740D+01
      3  -0.293348D+00 -0.117227D+01 -0.155492D+00 -0.806403D+00 -0.374472D+01
                56            57            58            59            60 
      1   0.109740D+01 -0.374472D+01 -0.580695D+00  0.301064D+01 -0.819162D+00
      2   0.254508D+01 -0.724934D-01  0.301064D+01  0.464431D+00 -0.222676D+01
      3  -0.724934D-01 -0.400399D+00 -0.819162D+00 -0.222676D+01  0.114379D+01
                61            62            63            64            65 
      1  -0.334459D+01 -0.150509D+00 -0.594847D+00  0.953243D+01 -0.126148D+01
      2  -0.150509D+00 -0.170092D+01  0.122098D+01 -0.126148D+01 -0.131157D+01
      3  -0.594847D+00  0.122098D+01  0.718926D+00  0.491314D+01 -0.545560D+00
                66            67            68            69            70 
      1   0.491314D+01 -0.386399D+01 -0.873407D+00 -0.162623D+01  0.422263D+01
      2  -0.545560D+00 -0.873407D+00 -0.395374D+00  0.160406D+01 -0.152093D-01
      3   0.250025D+01 -0.162623D+01  0.160406D+01 -0.643883D+00  0.233852D+01
                71            72            73            74            75 
      1  -0.152093D-01  0.233852D+01 -0.975473D+01 -0.748667D+00 -0.499021D+01
      2   0.122846D+01 -0.211560D+00 -0.748667D+00  0.138118D+01 -0.399885D+00
      3  -0.211560D+00 -0.146453D+01 -0.499021D+01 -0.399885D+00 -0.251387D+01
                76            77            78            79            80 
      1  -0.337871D+01  0.104553D+01 -0.148421D+01 -0.421731D+01  0.109814D+00
      2   0.104553D+01 -0.529461D+00 -0.151606D+01  0.109814D+00 -0.122911D+01
      3  -0.148421D+01 -0.151606D+01 -0.535846D+00 -0.234956D+01 -0.118600D+00
                81            82            83            84            85 
      1  -0.234956D+01 -0.389122D+00  0.165176D+01  0.827793D+00  0.265039D+01
      2  -0.118600D+00  0.165176D+01  0.191319D+01 -0.132766D+01  0.423270D+01
      3   0.146854D+01  0.827793D+00 -0.132766D+01  0.148571D+01 -0.187975D+01
                86            87            88            89            90 
      1   0.423270D+01 -0.187975D+01  0.190184D+00 -0.128716D+01  0.220399D+01
      2   0.776533D+01 -0.513094D+01 -0.128716D+01 -0.357153D+01  0.110498D+01
      3  -0.513094D+01  0.139126D+01  0.220399D+01  0.110498D+01  0.474455D+00
                91            92            93            94            95 
      1  -0.109165D+01 -0.489331D+00 -0.247701D+01 -0.795991D+00 -0.170540D+01
      2  -0.489331D+00 -0.841847D+00  0.590747D+00 -0.170540D+01 -0.346262D+01
      3  -0.247701D+01  0.590747D+00 -0.158248D+01  0.480723D+00  0.435047D+01
                96            97            98            99           100 
      1   0.480723D+00 -0.312214D+01  0.110117D+01 -0.219724D+01  0.104878D+02
      2   0.435047D+01  0.110117D+01  0.604637D+01 -0.192326D+01 -0.194673D+01
      3  -0.986043D+00 -0.219724D+01 -0.192326D+01  0.125322D+00  0.305975D+01
               101           102           103           104           105 
      1  -0.194673D+01  0.305975D+01  0.831625D-01  0.109065D+01  0.300891D+00
      2   0.133962D+01 -0.444621D+00  0.109065D+01 -0.846262D+00  0.731113D+00
      3  -0.444621D+00  0.207732D+01  0.300891D+00  0.731113D+00 -0.219367D+00
               106           107           108           109           110 
      1   0.293699D+01 -0.510613D+00  0.244176D+01 -0.566888D+00 -0.803454D+00
      2  -0.510613D+00  0.634055D+00 -0.725383D+00 -0.803454D+00 -0.142421D+01
      3   0.244176D+01 -0.725383D+00  0.160934D+01  0.976142D+00  0.532033D+00
               111           112           113           114           115 
      1   0.976142D+00 -0.924499D+00 -0.253403D+00  0.159462D+00  0.117188D+01
      2   0.532033D+00 -0.253403D+00 -0.450885D+01  0.215208D+01 -0.209286D+00
      3  -0.850879D+00  0.159462D+00  0.215208D+01 -0.219754D+01  0.680472D-02
               116           117           118           119           120 
      1  -0.209286D+00  0.680472D-02  0.357058D+01 -0.245755D+01 -0.117457D+01
      2   0.192581D+01 -0.179778D+01 -0.245755D+01  0.257302D+01  0.564773D+00
      3  -0.179778D+01  0.225970D+01 -0.117457D+01  0.564773D+00  0.105574D+01
               121           122           123           124           125 
      1  -0.371349D+01  0.437174D+01  0.132336D+01 -0.141066D+01  0.116435D+01
      2   0.437174D+01 -0.685308D+01 -0.241796D+01  0.116435D+01 -0.197094D+01
      3   0.132336D+01 -0.241796D+01 -0.167135D+01  0.163265D+01 -0.173860D+01
               126           127           128           129           130 
      1   0.163265D+01  0.324021D+01  0.995945D+00 -0.164810D+01  0.215549D+01
      2  -0.173860D+01  0.995945D+00  0.115261D+01 -0.458947D+00  0.149910D+01
      3  -0.137299D+01 -0.164810D+01 -0.458947D+00  0.152728D+01 -0.841301D+00
               131           132           133           134           135 
      1   0.149910D+01 -0.841301D+00 -0.197337D+01 -0.160955D+00  0.154782D+01
      2   0.203335D+01 -0.143855D+01 -0.160955D+00 -0.119406D+01  0.810956D+00
      3  -0.143855D+01  0.168421D+01  0.154782D+01  0.810956D+00 -0.216053D+01
               136           137           138           139           140 
      1  -0.397249D+01 -0.261072D+01  0.126120D+01 -0.392714D+01 -0.438489D+01
      2  -0.261072D+01 -0.265646D+01  0.616056D+00 -0.438489D+01 -0.635255D+01
      3   0.126120D+01  0.616056D+00 -0.112348D+01  0.137341D+01  0.233906D+01
               141           142           143           144           145 
      1   0.137341D+01  0.150114D+01  0.117515D+01 -0.170543D+01 -0.305803D+01
      2   0.233906D+01  0.117515D+01  0.187033D+01 -0.166930D+01  0.100602D+01
      3  -0.162532D+01 -0.170543D+01 -0.166930D+01  0.137465D+01  0.157859D+01
               146           147           148           149           150 
      1   0.100602D+01  0.157859D+01  0.216622D+01 -0.154133D+01 -0.845540D+00
      2  -0.116135D+01 -0.470279D+00 -0.154133D+01  0.221100D+01  0.149083D+01
      3  -0.470279D+00 -0.145347D+01 -0.845540D+00  0.149083D+01  0.174944D+01
               151           152           153           154           155 
      1   0.194732D+01 -0.183427D+00 -0.150479D+01 -0.106864D+02 -0.160534D+01
      2  -0.183427D+00  0.120820D+01  0.869508D+00 -0.160534D+01 -0.121783D+01
      3  -0.150479D+01  0.869508D+00  0.214153D+01 -0.308597D+01 -0.344882D+00
               156           157           158           159           160 
      1  -0.308597D+01  0.434150D+00 -0.106905D+01  0.404145D+00 -0.297748D+01
      2  -0.344882D+00 -0.106905D+01 -0.710287D+00 -0.728310D+00 -0.403222D+00
      3  -0.209128D+01  0.404145D+00 -0.728310D+00 -0.126352D+00 -0.247897D+01
               161           162           163           164           165 
      1  -0.403222D+00 -0.247897D+01  0.443314D+00 -0.756558D+00 -0.943861D+00
      2  -0.590735D+00 -0.618893D+00 -0.756558D+00  0.133066D+01  0.498745D+00
      3  -0.618893D+00 -0.161217D+01 -0.943861D+00  0.498745D+00  0.769676D+00
               166           167           168           169           170 
      1  -0.931257D+00  0.136793D+00  0.110087D+00 -0.118627D+01 -0.235082D+00
      2   0.136793D+00 -0.458876D+01 -0.217724D+01 -0.235082D+00 -0.191864D+01
      3   0.110087D+00 -0.217724D+01 -0.223148D+01 -0.762930D-01 -0.179815D+01
               171           172           173           174           175 
      1  -0.762930D-01 -0.210537D+01  0.172361D+01  0.219748D+00  0.348663D+01
      2  -0.179815D+01  0.172361D+01 -0.221285D+01  0.420041D+00 -0.138467D+01
      3  -0.225231D+01  0.219748D+00  0.420041D+00 -0.364960D+00  0.136342D+01
               176           177           178           179           180 
      1  -0.138467D+01  0.136342D+01  0.180083D+01  0.517094D+00  0.353972D+00
      2   0.335399D+01 -0.156746D+00  0.517094D+00  0.167057D+00  0.712613D+00
      3  -0.156746D+00  0.117348D+01  0.353972D+00  0.712613D+00 -0.176510D+00
               181           182           183           184           185 
      1   0.172753D+01  0.408739D+00  0.391006D+00 -0.810450D-01 -0.657869D+00
      2   0.408739D+00 -0.593431D+00  0.697320D-01 -0.657869D+00  0.887166D-01
      3   0.391006D+00  0.697320D-01  0.816705D+00  0.405666D-01 -0.772774D+00
               186           187           188           189           190 
      1   0.405666D-01 -0.173567D+01 -0.207188D+00 -0.122480D+01  0.136696D+01
      2  -0.772774D+00 -0.207188D+00 -0.104564D+01  0.635112D+00 -0.147034D-01
      3   0.140575D+00 -0.122480D+01  0.635112D+00 -0.701425D+01 -0.655345D+00
               191           192           193           194           195 
      1  -0.147034D-01 -0.655345D+00 -0.183431D+01  0.984389D+00 -0.111878D+00
      2   0.213506D+01 -0.105118D+01  0.984389D+00 -0.570136D+01  0.798399D+00
      3  -0.105118D+01  0.722636D+00 -0.111878D+00  0.798399D+00 -0.100226D+01
               196           197           198           199           200 
      1  -0.983682D+00 -0.987068D+00  0.706768D+00 -0.319329D+00  0.320012D+00
      2  -0.987068D+00 -0.743312D+00 -0.154755D+00  0.320012D+00  0.784939D+00
      3   0.706768D+00 -0.154755D+00  0.289635D+00  0.398703D+00 -0.430092D+00
               201           202           203           204           205 
      1   0.398703D+00  0.691429D+00  0.124526D+01 -0.539713D+00  0.140160D+01
      2  -0.430092D+00  0.124526D+01  0.324352D+00  0.248367D-01  0.424862D+00
      3   0.349321D+00 -0.539713D+00  0.248367D-01  0.670916D+00 -0.274194D+00
               206           207           208           209           210 
      1   0.424862D+00 -0.274194D+00 -0.137930D+01 -0.986567D-01  0.602421D+00
      2   0.131680D+01 -0.129026D+01 -0.986567D-01 -0.236416D+01 -0.110801D+01
      3  -0.129026D+01  0.693416D+01  0.602421D+00 -0.110801D+01 -0.765168D+00
               211           212           213           214           215 
      1  -0.185760D+01 -0.114284D+01 -0.168558D+00  0.903828D+00 -0.995975D+00
      2  -0.114284D+01 -0.549869D+01 -0.738582D+00 -0.995975D+00  0.844338D+00
      3  -0.168558D+00 -0.738582D+00 -0.967678D+00 -0.717008D+00 -0.118991D+00
               216           217           218           219           220 
      1  -0.717008D+00  0.368440D+00  0.215128D+00 -0.442135D+00  0.563219D+00
      2  -0.118991D+00  0.215128D+00 -0.792704D+00 -0.412425D+00 -0.126875D+01
      3  -0.287008D+00 -0.442135D+00 -0.412425D+00 -0.321131D+00 -0.520634D+00
               221           222           223           224           225 
      1  -0.126875D+01 -0.520634D+00 -0.136653D+01  0.428617D+00  0.214906D+00
      2   0.470151D+00  0.173679D-01  0.428617D+00 -0.135860D+01 -0.130972D+01
      3   0.173679D-01  0.675727D+00  0.214906D+00 -0.130972D+01 -0.693070D+01
               226           227           228           229           230 
      1   0.238366D+01  0.178834D+01 -0.154643D+00  0.349128D+01  0.128547D+01
      2   0.178834D+01  0.219585D+01  0.439248D+00  0.128547D+01  0.320029D+01
      3  -0.154643D+00  0.439248D+00  0.405775D+00  0.137762D+01  0.630527D-01
               231           232           233           234           235 
      1   0.137762D+01 -0.174984D+01  0.589678D+00 -0.324509D+00 -0.167856D+01
      2   0.630527D-01  0.589678D+00 -0.226689D+00  0.729718D+00  0.536287D+00
      3   0.116048D+01 -0.324509D+00  0.729718D+00  0.171984D+00 -0.379629D+00
               236           237           238           239           240 
      1   0.536287D+00 -0.379629D+00  0.459668D-01  0.641487D+00  0.867210D-01
      2   0.554915D+00  0.119487D+00  0.641487D+00  0.724687D-02  0.765434D+00
      3   0.119487D+00 -0.809971D+00  0.867210D-01  0.765434D+00  0.177686D+00
               241           242           243           244           245 
      1   0.171491D+01 -0.237508D+00  0.124920D+01  0.103480D+01 -0.436381D+00
      2  -0.237508D+00  0.106568D+01  0.583356D+00 -0.436381D+00  0.739074D+00
      3   0.124920D+01  0.583356D+00  0.701155D+01  0.251628D+01  0.270294D+00
               246           247           248           249           250 
      1   0.251628D+01 -0.677446D+00  0.159781D+01  0.174392D+00  0.320595D+01
      2   0.270294D+00  0.159781D+01 -0.359599D+01 -0.437802D+01  0.687666D+00
      3   0.154774D+01  0.174392D+00 -0.437802D+01 -0.104032D+01  0.211343D+01
               251           252           253           254           255 
      1   0.687666D+00  0.211343D+01  0.624880D+00  0.135473D+01 -0.969616D+00
      2  -0.614772D+01 -0.203514D+01  0.135473D+01 -0.169750D+01 -0.104572D+01
      3  -0.203514D+01 -0.112667D+00 -0.969616D+00 -0.104572D+01 -0.141298D+01
               256           257           258           259           260 
      1   0.224009D+01 -0.404130D+01 -0.159612D+01 -0.316670D+00 -0.111033D+01
      2  -0.404130D+01  0.817323D+01  0.523475D+01 -0.111033D+01  0.366318D+01
      3  -0.159612D+01  0.523475D+01  0.143533D+01 -0.214911D+01  0.120443D+01
               261           262           263           264           265 
      1  -0.214911D+01  0.528620D+01  0.583860D+00 -0.247013D+01 -0.743140D-01
      2   0.120443D+01  0.583860D+00  0.230485D+01 -0.498960D+00  0.885345D-01
      3  -0.489582D+00 -0.247013D+01 -0.498960D+00  0.191902D+01  0.489666D+00
               266           267           268           269           270 
      1   0.885345D-01  0.489666D+00 -0.168326D+01  0.290277D+00  0.110099D+01
      2  -0.125626D+01  0.750893D+00  0.290277D+00  0.610584D+00 -0.949710D-01
      3   0.750893D+00 -0.410746D+00  0.110099D+01 -0.949710D-01 -0.173964D+01
               271           272           273           274           275 
      1  -0.479240D+00 -0.555179D+00 -0.716258D+00  0.921007D-01 -0.937430D+00
      2  -0.555179D+00 -0.236869D+01  0.110648D+01 -0.937430D+00 -0.282970D+00
      3  -0.716258D+00  0.110648D+01 -0.200430D+01  0.469644D+00 -0.963165D-01
               276           277           278           279           280 
      1   0.469644D+00 -0.103529D+01 -0.592062D-02 -0.567272D+00  0.420573D+01
      2  -0.963165D-01 -0.592062D-02 -0.140491D+01  0.117236D+01  0.115849D+01
      3   0.453189D+00 -0.567272D+00  0.117236D+01 -0.553213D+01  0.168370D+01
               281           282           283           284           285 
      1   0.115849D+01  0.168370D+01  0.531822D+00  0.124803D+01  0.110102D+00
      2   0.212616D+01  0.391699D+00  0.124803D+01  0.968158D+00  0.369336D+00
      3   0.391699D+00  0.149130D+01  0.110102D+00  0.369336D+00  0.278937D+00
               286           287           288           289           290 
      1   0.270622D+01  0.464049D+00  0.183516D+01  0.972935D+00  0.174722D+01
      2   0.464049D+00  0.935663D+00  0.958279D+00  0.174722D+01  0.123962D+01
      3   0.183516D+01  0.958279D+00  0.226907D+01 -0.397323D+00 -0.557863D+00
               291           292           293           294           295 
      1  -0.397323D+00  0.150067D+01  0.164268D+01 -0.609831D+00 -0.415775D+00
      2  -0.557863D+00  0.164268D+01  0.890000D+01 -0.292831D+01 -0.123113D+01
      3   0.498753D+00 -0.609831D+00 -0.292831D+01  0.200619D+01  0.101170D+01
               296           297           298           299           300 
      1  -0.123113D+01  0.101170D+01 -0.758418D+00  0.167199D+01  0.360008D+00
      2  -0.487521D+01  0.314562D+01  0.167199D+01 -0.996900D+00 -0.445387D+00
      3   0.314562D+01 -0.260530D+01  0.360008D+00 -0.445387D+00 -0.410406D+00
               301           302           303           304           305 
      1   0.140093D+01 -0.137940D+01 -0.494203D+00  0.316265D+00 -0.102661D+01
      2  -0.137940D+01  0.908398D+01  0.297259D+01 -0.102661D+01  0.499722D+01
      3  -0.494203D+00  0.297259D+01  0.202055D+01 -0.868906D+00  0.319119D+01
               306           307           308           309           310 
      1  -0.868906D+00 -0.408947D+01  0.120664D+01 -0.166755D+01  0.615745D+00
      2   0.319119D+01  0.120664D+01 -0.216098D+01  0.469394D+00 -0.126299D+01
      3   0.260275D+01 -0.166755D+01  0.469394D+00 -0.148524D+01  0.173968D+00
               311           312           313           314           315 
      1  -0.126299D+01  0.173968D+00 -0.266297D+01  0.554405D+00 -0.179472D+01
      2   0.118223D+01 -0.382158D+00  0.554405D+00 -0.961471D+00  0.104804D+01
      3  -0.382158D+00  0.344057D+00 -0.179472D+01  0.104804D+01 -0.227437D+01
               316           317           318           319           320 
      1  -0.520386D+01  0.725961D+00  0.245589D+01  0.174483D+00 -0.159580D+00
      2   0.725961D+00 -0.240579D+01 -0.649404D+00 -0.159580D+00 -0.110615D+01
      3   0.245589D+01 -0.649404D+00 -0.193419D+01  0.331556D+00 -0.742309D+00
               321           322           323           324           325 
      1   0.331556D+00  0.171151D+01  0.171362D+00 -0.111291D+01  0.443734D+00
      2  -0.742309D+00  0.171362D+00 -0.623475D+00 -0.364127D-01 -0.423094D+00
      3  -0.315479D+00 -0.111291D+01 -0.364127D-01  0.174708D+01  0.793885D+00
               326           327           328           329           330 
      1  -0.423094D+00  0.793885D+00  0.157928D+00  0.930222D+00  0.436352D+00
      2   0.237969D+01  0.106487D+01  0.930222D+00 -0.458465D+00  0.375082D-01
      3   0.106487D+01  0.201452D+01  0.436352D+00  0.375082D-01  0.367384D+00
               331           332           333 
      1   0.104097D+01  0.121373D-01  0.624516D+00
      2   0.121373D-01  0.139717D+01  0.113594D+01
      3   0.624516D+00  0.113594D+01  0.553076D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.711295D+00  0.257704D+01 -0.264273D+01  0.411007D+01  0.592434D+01
      2   0.490624D+00 -0.119216D+01  0.917914D+01 -0.210096D+01 -0.126371D+02
      3  -0.444547D+01 -0.108510D+02 -0.175182D+01 -0.792499D+01  0.510223D+01
                 6             7             8             9            10 
      1  -0.185146D+01 -0.104163D+01 -0.812489D-01 -0.206639D+01 -0.494248D+01
      2  -0.411920D+01  0.289055D+01 -0.171275D+00  0.167754D+01  0.115131D+02
      3   0.865347D+01 -0.369093D+00  0.969917D+01  0.434464D+01  0.600658D+01
                11            12            13            14            15 
      1   0.414859D+01  0.157517D+00  0.401438D+01 -0.116662D+01 -0.753453D+01
      2  -0.240232D+01  0.355253D+01 -0.427929D+01  0.231689D+00  0.605944D+01
      3   0.827541D+01  0.674406D+01  0.106920D+02 -0.575760D+01 -0.599869D+01
                16            17            18            19            20 
      1  -0.121937D+01 -0.197529D+01  0.345715D+00 -0.900443D+00 -0.381956D+00
      2   0.151495D+01  0.228447D+01 -0.220484D+01 -0.187165D+02 -0.129327D+02
      3   0.817855D+01 -0.586333D+01 -0.411483D+01 -0.231467D+02 -0.202439D+02
                21            22            23            24            25 
      1   0.794346D+01  0.905623D+01  0.261060D+02 -0.586440D+01  0.173215D+02
      2   0.399066D+01 -0.477812D+01  0.283101D+01 -0.490040D+01 -0.126899D+02
      3   0.972891D+01  0.555508D+01  0.234374D+02 -0.739312D+01  0.501657D+01
                26            27            28            29            30 
      1   0.217673D+02 -0.252740D+02 -0.322838D-01 -0.350112D+01  0.294723D-01
      2  -0.125367D+02  0.131169D+02 -0.358228D+01  0.154207D+00 -0.972214D+01
      3  -0.363838D+00 -0.158259D+01 -0.162944D+00  0.134025D+02 -0.470540D-01
                31            32            33            34            35 
      1  -0.141716D+01  0.851800D-01  0.112809D+02  0.344898D-01 -0.157982D+02
      2   0.868022D-01  0.564148D+00 -0.611716D-02  0.177825D+02 -0.123858D-01
      3  -0.170990D+02  0.194889D-01  0.109210D+01 -0.913661D-01  0.868121D+00
                36            37            38            39            40 
      1   0.875842D-01  0.355963D+00 -0.867344D+00 -0.791644D+01  0.813372D+01
      2  -0.147275D+00 -0.180161D+02  0.138762D+02  0.455990D+01  0.540688D+01
      3  -0.291755D-01  0.224818D+02 -0.222102D+02 -0.999885D+01  0.346073D+01
                41            42            43            44            45 
      1  -0.263246D+02 -0.525873D+01 -0.168163D+02  0.230981D+02  0.257982D+02
      2   0.306168D+01  0.490982D+01 -0.113875D+02  0.120689D+02  0.119715D+02
      3  -0.225978D+02 -0.688376D+01 -0.501120D+01 -0.120332D+00  0.155421D+01
                46            47            48            49            50 
      1   0.583957D+01  0.397364D+01 -0.342678D+00  0.400356D+01  0.828211D+00
      2   0.116092D+02  0.164599D+01  0.331570D+01  0.359583D+01 -0.548812D-01
      3  -0.515825D+01  0.864748D+01 -0.696117D+01  0.111827D+02  0.496495D+01
                51            52            53            54            55 
      1  -0.779507D+01  0.119303D+01 -0.218117D+01 -0.410792D+00 -0.398820D+00
      2  -0.587237D+01  0.139310D+01 -0.234112D+01 -0.212937D+01  0.661078D+00
      3  -0.571858D+01 -0.845983D+01 -0.549750D+01  0.420326D+01  0.365333D+01
                56            57            58            59            60 
      1   0.236464D+01  0.298158D+01  0.396086D+01 -0.680051D+01 -0.180465D+01
      2   0.608054D+00  0.921684D+01  0.141137D+01 -0.125100D+02  0.379852D+01
      3  -0.111272D+02  0.202541D+01 -0.835308D+01 -0.415121D+01  0.856515D+01
                61            62            63            64            65 
      1   0.116811D+01 -0.109729D+00  0.211303D+01 -0.364040D+01 -0.112425D+02
      2   0.288616D+01  0.383675D-01  0.158084D+01  0.263412D+02 -0.180064D+01
      3   0.779029D+00  0.960876D+01 -0.434607D+01  0.569191D+01  0.107601D+02
                66            67            68            69            70 
      1  -0.278176D+01 -0.228891D+02  0.385365D+01 -0.107052D+02 -0.849110D+00
      2   0.219574D+01  0.406780D+01  0.509496D+01  0.467251D+01 -0.319644D+02
      3   0.156813D+01  0.356169D+02 -0.445649D+01  0.123722D+02 -0.251880D+01
                71            72            73            74            75 
      1   0.124291D+01  0.113895D+01  0.318007D+01 -0.114790D+02  0.235310D+01
      2   0.382919D+01 -0.291188D+02  0.261799D+02  0.140029D+01  0.188486D+01
      3   0.530839D+01 -0.122114D+01 -0.350736D+01  0.111917D+02 -0.980652D+00
                76            77            78            79            80 
      1  -0.233536D+02 -0.213989D+01 -0.110262D+02 -0.498026D+00  0.108567D+01
      2  -0.396406D+01  0.533866D+01 -0.427521D+01 -0.320493D+02 -0.250855D+01
      3   0.359669D+02  0.244015D+01  0.124222D+02  0.277174D+01  0.519613D+01
                81            82            83            84            85 
      1  -0.240072D+01 -0.328012D+01  0.437342D+01  0.191066D+01  0.628935D+01
      2  -0.290389D+02 -0.176784D+02 -0.173856D+02  0.143771D+02 -0.588118D+01
      3   0.123828D+01 -0.221264D+02 -0.250848D+02  0.156942D+02 -0.599996D-01
                86            87            88            89            90 
      1   0.222795D+02  0.275361D+00  0.106746D+02  0.270730D+02 -0.167716D+02
      2   0.199199D+01 -0.605192D+01 -0.465199D+01 -0.180706D+02  0.144199D+02
      3   0.193842D+02 -0.493020D+01  0.708515D+01 -0.389343D+01  0.437106D+01
                91            92            93            94            95 
      1   0.932461D+01  0.337184D+01  0.621315D+01  0.413976D+01 -0.122752D+02
      2  -0.231869D+01  0.797422D+00 -0.526714D-01 -0.246216D+00  0.238786D+01
      3  -0.545999D+01 -0.132315D+01 -0.750801D+01  0.367871D+01 -0.100441D+01
                96            97            98            99           100 
      1  -0.433900D+01  0.451778D+01 -0.374065D+01  0.276584D+01  0.170454D+01
      2  -0.465443D+00 -0.335150D+01  0.497108D+00 -0.508503D+00 -0.280170D+01
      3  -0.675841D+01 -0.119441D+02 -0.786295D+01 -0.527424D+01 -0.934922D+01
               101           102           103           104           105 
      1   0.180521D+01  0.315201D+01 -0.309955D+00  0.116523D+01 -0.110976D+01
      2   0.144826D+01  0.493673D+01 -0.201277D+01  0.182647D+01 -0.149974D+01
      3  -0.370686D+01 -0.375920D+01 -0.741058D+00 -0.492593D+00 -0.170510D+01
               106           107           108           109           110 
      1   0.211777D+01  0.106606D+01  0.139456D+01  0.135293D+01 -0.140920D+01
      2   0.203089D+01 -0.532137D+00  0.256187D+01  0.520912D+01  0.228743D+01
      3  -0.155955D+01 -0.272418D+01 -0.112582D+01  0.546670D+01  0.561449D+01
               111           112           113           114           115 
      1  -0.191678D+01 -0.182928D+00 -0.143090D+01 -0.302925D+01 -0.287478D+00
      2  -0.350006D+01  0.139209D+01  0.667084D+01 -0.635975D+01 -0.315704D+01
      3  -0.354174D+01  0.461348D+01  0.131773D+02 -0.663701D+01 -0.179272D+01
               116           117           118           119           120 
      1   0.184809D-01  0.226467D+01 -0.687277D+00 -0.211823D+00  0.203505D+01
      2  -0.502161D+01  0.608751D+01 -0.120483D+01  0.938942D+00  0.372123D+01
      3  -0.536417D+01  0.570622D+01  0.655409D+00 -0.405674D+01 -0.221320D+00
               121           122           123           124           125 
      1  -0.238645D+01  0.262042D+01 -0.255753D+01  0.110633D+01 -0.226658D+00
      2  -0.244450D+01 -0.110988D+01 -0.382538D+01  0.750752D+00 -0.271404D+01
      3  -0.104177D+01  0.978903D+01  0.403440D+01  0.146959D+01  0.269327D+01
               126           127           128           129           130 
      1  -0.138332D+01 -0.422567D+01 -0.177159D+01  0.265235D+01 -0.293091D+01
      2  -0.209291D+01 -0.193891D+01  0.213452D+00  0.359722D+01  0.757059D+00
      3   0.115370D+01 -0.754785D+01 -0.631130D+01  0.420289D+01 -0.705225D+01
               131           132           133           134           135 
      1  -0.584602D+01  0.377208D+01  0.268312D+01  0.447244D+01 -0.427293D+01
      2  -0.340352D+01  0.551616D+01  0.130398D+01  0.272606D+01 -0.500235D+01
      3  -0.113729D+02  0.619983D+01  0.393489D+01  0.454951D+01 -0.577465D+01
               136           137           138           139           140 
      1   0.495008D+00 -0.423639D+00 -0.196900D+01 -0.242764D+01 -0.253355D+01
      2  -0.112886D+01 -0.896464D+00  0.396214D+01  0.255141D+01 -0.107869D+01
      3  -0.869215D+00 -0.446668D+01  0.385280D+00 -0.146162D+01 -0.954660D+01
               141           142           143           144           145 
      1  -0.229565D+01 -0.109996D+01 -0.813694D-01  0.128849D+01  0.390910D+01
      2   0.376453D+01  0.948907D+00  0.272977D+01 -0.215762D+01 -0.211704D+01
      3   0.404519D+01 -0.133210D+01  0.280702D+01 -0.117399D+01  0.692392D+01
               146           147           148           149           150 
      1  -0.172699D+01 -0.234548D+01 -0.285377D+01  0.592945D+01  0.361811D+01
      2  -0.154159D+00  0.348952D+01 -0.713867D+00 -0.363598D+01 -0.583435D+01
      3  -0.617062D+01 -0.394935D+01 -0.686212D+01  0.119477D+02  0.635858D+01
               151           152           153           154           155 
      1  -0.240973D+01  0.445294D+01  0.402085D+01 -0.177775D+01  0.177881D+01
      2   0.129655D+01 -0.297614D+01 -0.511013D+01 -0.269040D+01 -0.135086D+01
      3  -0.369714D+01  0.469619D+01  0.574976D+01  0.920280D+01 -0.406233D+01
               156           157           158           159           160 
      1  -0.299644D+01 -0.150197D+00 -0.110769D+01 -0.911224D+00 -0.201664D+01
      2   0.514748D+01  0.215222D+01  0.180615D+01  0.132677D+01  0.219863D+01
      3   0.372744D+01 -0.117622D+01  0.629281D+00 -0.187317D+01  0.148586D+01
               161           162           163           164           165 
      1   0.116811D+01 -0.128994D+01 -0.118144D+01 -0.139723D+01  0.165046D+01
      2   0.411850D+00  0.262983D+01  0.508186D+01 -0.222870D+01 -0.333548D+01
      3  -0.278290D+01  0.114418D+01 -0.501730D+01  0.537767D+01  0.331438D+01
               166           167           168           169           170 
      1  -0.122931D+00  0.178236D+01 -0.283674D+01  0.175458D+00  0.244619D+00
      2  -0.134218D+01  0.677313D+01  0.663220D+01 -0.296838D+01  0.516784D+01
      3   0.431250D+01 -0.136640D+02 -0.679828D+01  0.156746D+01 -0.549518D+01
               171           172           173           174           175 
      1  -0.197530D+01 -0.183507D+01  0.258240D+01 -0.161349D+00  0.499892D+01
      2   0.617135D+01 -0.929566D+00  0.170057D+01  0.218872D+01  0.621538D+01
      3  -0.574281D+01  0.248935D+01 -0.444894D+01  0.307127D+00 -0.496116D+01
               176           177           178           179           180 
      1  -0.707526D+01  0.596857D+00  0.231989D+01 -0.641459D+00 -0.998830D-02
      2  -0.161917D+01  0.597877D+00  0.395849D+01 -0.131386D+01  0.900879D+00
      3   0.999209D+01 -0.188279D+01 -0.191042D+01  0.226409D+01  0.482298D-01
               181           182           183           184           185 
      1  -0.211223D+01 -0.108910D+01 -0.110499D+01 -0.412346D+00 -0.544334D+00
      2  -0.214905D+01  0.432270D+00 -0.465645D+01 -0.794525D+00  0.208685D+01
      3   0.160572D+01  0.102144D+00  0.636222D+00  0.124961D+01  0.384442D+00
               186           187           188           189           190 
      1   0.565572D+00  0.831601D+00  0.259213D+01 -0.709387D+00  0.129375D+01
      2  -0.387526D+00  0.745849D+00 -0.209929D+01  0.158529D+02 -0.256747D+01
      3  -0.154461D+01 -0.104646D+01 -0.220583D+01  0.169043D+01 -0.248537D+01
               191           192           193           194           195 
      1   0.597768D+01 -0.157092D+01  0.124465D+01 -0.700782D+01 -0.107310D+01
      2   0.220561D+01  0.473489D-01  0.276291D+01 -0.336414D+01  0.142691D+01
      3   0.586987D+01 -0.222545D+01  0.573423D+01 -0.907082D+01  0.153394D+01
               196           197           198           199           200 
      1  -0.856994D+00 -0.412532D+01  0.206832D+00 -0.393231D+00 -0.246245D+01
      2  -0.541822D+00  0.322576D+00 -0.423051D+00 -0.153011D+01  0.771759D+00
      3   0.306896D+00 -0.244803D+01 -0.252205D+00 -0.126405D+01 -0.154988D+01
               201           202           203           204           205 
      1   0.196615D+01 -0.217843D+01 -0.130213D+01  0.394709D+01 -0.524746D+00
      2  -0.122387D+01 -0.235366D+00 -0.391186D+00 -0.111343D+01 -0.270061D+01
      3  -0.923780D+00 -0.312361D+00 -0.820404D+00  0.146124D+01 -0.245172D+01
               206           207           208           209           210 
      1  -0.116916D+01  0.128928D+02 -0.107077D+01  0.617143D+01  0.148576D+01
      2   0.145848D+01 -0.917221D+01 -0.256380D+01 -0.246002D+01 -0.605192D-01
      3   0.195580D+00 -0.138517D+01  0.281626D+01  0.607121D+01  0.224700D+01
               211           212           213           214           215 
      1   0.148369D+01  0.650821D+01 -0.122534D+01  0.638885D+00 -0.418808D+01
      2  -0.282854D+01 -0.341311D+01 -0.136500D+01 -0.566863D+00 -0.107456D+00
      3   0.598332D+01  0.853223D+01  0.141232D+01 -0.443172D+00 -0.244045D+01
               216           217           218           219           220 
      1  -0.231687D+00  0.119854D+00 -0.244561D+01 -0.183969D+01 -0.210238D+01
      2  -0.408954D+00 -0.155553D+01 -0.619647D+00 -0.110133D+01  0.376199D+00
      3   0.257697D+00  0.117496D+01 -0.154942D+01  0.100095D+01 -0.302623D+00
               221           222           223           224           225 
      1   0.146703D+01  0.404928D+01  0.356920D+00 -0.127732D+01 -0.132762D+02
      2  -0.434326D+00  0.973162D+00 -0.278121D+01 -0.129754D+01 -0.859585D+01
      3   0.871562D+00  0.140505D+01  0.246387D+01  0.905349D-01  0.139853D+01
               226           227           228           229           230 
      1   0.213236D+01  0.268561D+01  0.289098D+00  0.490049D+01  0.682488D+01
      2  -0.134663D+01 -0.184707D+01  0.215195D+01 -0.640281D+01 -0.159165D+01
      3  -0.293847D+01 -0.471785D+01 -0.399117D+00 -0.522157D+01 -0.976440D+01
               231           232           233           234           235 
      1   0.505071D+00 -0.216077D+01 -0.516570D+00  0.608066D-01  0.197393D+01
      2  -0.721345D+00  0.409825D+01  0.116013D+01  0.896406D+00 -0.222794D+01
      3  -0.180680D+01  0.199424D+01  0.221316D+01 -0.585213D-01 -0.156895D+01
               236           237           238           239           240 
      1  -0.116313D+01  0.926466D+00 -0.434909D+00  0.697005D+00  0.545548D+00
      2  -0.209497D+00 -0.468924D+01  0.982237D+00  0.203787D+01  0.564235D+00
      3   0.161494D+00 -0.716342D+00  0.129132D+01 -0.448666D+00 -0.151215D+01
               241           242           243           244           245 
      1  -0.687037D+00  0.270683D+01  0.139174D+01 -0.906031D+01  0.438645D+01
      2   0.869457D+00  0.195537D+01  0.157998D+02 -0.194788D+01 -0.735071D+00
      3   0.951979D+00 -0.224718D+01 -0.168850D+01  0.558904D+01 -0.152000D+01
               246           247           248           249           250 
      1  -0.642868D+01  0.511528D+01  0.118777D+02 -0.411216D+01 -0.482755D+01
      2   0.247714D+00  0.230387D+00  0.188253D+01  0.618182D+00 -0.317126D+01
      3   0.718213D+01  0.355867D+01  0.954819D+00 -0.710895D+01  0.115860D+02
               251           252           253           254           255 
      1  -0.357050D+01 -0.285902D+01  0.297599D+01  0.401181D+01 -0.124793D+01
      2  -0.192410D+00 -0.412812D+00 -0.167005D+02  0.180064D+02  0.146469D+02
      3  -0.847079D+01  0.526704D+01  0.208569D+02 -0.268715D+02 -0.158613D+02
               256           257           258           259           260 
      1   0.541223D+01 -0.226183D+02  0.607172D+00 -0.960306D+01  0.282405D+02
      2   0.645435D+01  0.195590D+01  0.540194D+01 -0.339581D+01  0.169687D+02
      3  -0.186621D+01 -0.182697D+02 -0.421184D+01 -0.724474D+01 -0.359258D+01
               261           262           263           264           265 
      1   0.173574D+02  0.525845D+01 -0.249884D+01 -0.401410D+01 -0.186548D+01
      2   0.136118D+02  0.729521D+01  0.961900D+00 -0.162432D+01 -0.300591D+01
      3  -0.433857D+01  0.125577D+02 -0.199354D+01 -0.577476D+01 -0.405811D+01
               266           267           268           269           270 
      1   0.222188D+01  0.184271D+00 -0.307466D+01  0.168828D+01  0.243902D+01
      2  -0.184971D+01  0.116939D+01 -0.608117D+00  0.210843D+00  0.577180D+00
      3   0.416780D+00  0.246484D+01 -0.202739D+01  0.381273D+00  0.300418D+01
               271           272           273           274           275 
      1   0.618740D+00 -0.533182D+00  0.448192D+01 -0.998501D+00 -0.348505D+00
      2  -0.674326D+00  0.442037D+01 -0.553942D+01  0.191698D+01  0.192244D+01
      3  -0.138392D+00  0.325722D+01 -0.358024D+01  0.240576D+01  0.189238D+01
               276           277           278           279           280 
      1  -0.901228D-01  0.758222D+00  0.339892D+00  0.908713D+01 -0.684852D+01
      2  -0.860844D+00 -0.256301D+01  0.218221D+01 -0.784301D+01  0.258161D+01
      3  -0.277410D+00 -0.118961D+01  0.214201D+01 -0.238716D+01  0.141177D+02
               281           282           283           284           285 
      1  -0.116151D+01 -0.550856D+01 -0.376136D+00 -0.127504D+01 -0.910645D+00
      2   0.539434D+00  0.359442D+01  0.122962D+00  0.715208D+00  0.257786D-01
      3  -0.979675D+00  0.601877D+01 -0.125476D+00  0.451147D+01 -0.425463D+00
               286           287           288           289           290 
      1  -0.657477D+01 -0.103441D+01 -0.894032D+01 -0.410643D-02  0.207707D+00
      2   0.139743D+01  0.137920D+01  0.344886D+01  0.257827D+00  0.408561D+00
      3   0.977990D+01 -0.567390D+00  0.527206D+01  0.179535D+01  0.344125D+01
               291           292           293           294           295 
      1  -0.162671D+01  0.204206D+01  0.466280D+01 -0.730499D+01 -0.155163D+01
      2   0.775850D+00  0.247088D+00 -0.168861D+01  0.166373D+01 -0.846107D+00
      3  -0.924067D+00  0.525840D+01 -0.222234D+01 -0.935400D-01 -0.900735D+00
               296           297           298           299           300 
      1  -0.234894D+01  0.703242D+01  0.602089D-01 -0.366068D-01  0.133538D+01
      2   0.158907D+01 -0.179126D+01  0.221901D+00 -0.505799D+00  0.630833D+00
      3   0.347586D+01  0.253059D+00 -0.142001D+01  0.362066D+01  0.966416D+00
               301           302           303           304           305 
      1   0.180353D+01 -0.478143D+01 -0.739662D+01  0.139346D+01 -0.244980D+01
      2  -0.410715D+00 -0.143625D+01 -0.136488D+01 -0.984343D+00 -0.144450D+01
      3   0.540826D+01  0.185738D+01 -0.123451D+00  0.106239D+01  0.348669D+01
               306           307           308           309           310 
      1  -0.707831D+01  0.688671D+01 -0.155007D+01  0.563120D+01 -0.697774D+00
      2  -0.147820D+01  0.225094D+01 -0.581780D+00  0.336157D+01 -0.172734D+00
      3  -0.233892D+00 -0.141530D+02 -0.432068D+00 -0.601583D+01  0.404133D+00
               311           312           313           314           315 
      1   0.128215D+01 -0.118343D+01  0.657269D+01 -0.146155D+01  0.910009D+01
      2   0.681172D+00 -0.114669D+00  0.105275D+01 -0.137538D+01  0.306833D+01
      3  -0.440016D+01 -0.866912D-01 -0.977367D+01 -0.247896D-01 -0.526846D+01
               316           317           318           319           320 
      1  -0.507064D+01 -0.238134D+01  0.392372D+01 -0.155142D+01 -0.206450D+01
      2   0.757332D+01 -0.125866D+01 -0.181998D+01  0.264418D+01 -0.182650D+01
      3  -0.126967D+02 -0.138880D+01  0.583275D+01 -0.339860D+01 -0.104495D+00
               321           322           323           324           325 
      1  -0.748859D-01  0.310064D+01  0.151800D+01 -0.241946D+01 -0.731500D+00
      2  -0.106536D+01 -0.775324D+00 -0.212259D+00  0.694428D+00 -0.904505D+00
      3   0.214549D+01  0.204308D+01  0.233543D+00 -0.302849D+01  0.375227D+00
               326           327           328           329           330 
      1  -0.682016D+00 -0.470425D+01 -0.104269D+01  0.526742D+00  0.173034D+00
      2  -0.425631D+01 -0.527627D+01 -0.176038D+01  0.218412D+01  0.108178D+01
      3   0.315773D+01  0.355688D+01  0.231393D+01 -0.216583D+01 -0.431727D+00
               331           332           333 
      1  -0.870074D+00  0.317833D+00 -0.941564D+01
      2  -0.263311D+01 -0.204741D+01 -0.739606D+01
      3   0.128663D+01  0.205557D+01  0.236977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.413786D+02 -0.695554D+01 -0.237269D+02 -0.217433D+01  0.191422D+02
      2   0.266830D+02  0.899150D+01  0.136329D+02  0.567431D+01 -0.104744D+02
      3   0.146956D+02 -0.203596D+01  0.100940D+02 -0.349997D+01 -0.866772D+01
      4  -0.145801D+02  0.961204D+01 -0.718054D+01  0.118461D+02  0.509042D+01
      5  -0.264365D+02 -0.117688D+01 -0.566899D+01  0.439075D+01 -0.846383D+01
      6  -0.698903D+01  0.619184D+01  0.535460D+00  0.438261D+01 -0.996132D+01
                 6             7             8             9            10 
      1   0.859171D+01 -0.200878D+02  0.588030D+01 -0.425454D+00  0.102983D+02
      2  -0.103887D+02  0.118519D+02 -0.793800D+01 -0.354422D+01 -0.691149D+01
      3   0.179698D+01  0.823595D+01  0.205771D+01  0.396968D+01 -0.338682D+01
      4  -0.806209D+01 -0.495486D+01 -0.682713D+01 -0.422862D+01  0.315308D+00
      5  -0.487946D+01 -0.685641D+01 -0.391803D+01  0.461504D+01  0.108753D+02
      6  -0.100826D+02  0.225181D+00 -0.770635D+01  0.760148D+00  0.776145D+01
                11            12            13            14            15 
      1   0.368977D+01  0.130381D+02  0.233197D+01 -0.164004D+02 -0.395312D+01
      2  -0.120624D+02 -0.533677D+01 -0.127882D+02  0.357644D+01  0.109901D+02
      3   0.837261D+01 -0.770131D+01  0.104562D+02  0.128239D+02 -0.703702D+01
      4  -0.218913D+02  0.619829D+01 -0.273102D+02 -0.234351D+02  0.187751D+02
      5  -0.488782D+00 -0.940015D+01  0.107617D+01  0.217719D+02  0.415763D+01
      6   0.477697D+01 -0.104928D+01  0.103713D+02  0.124083D+02 -0.360068D+01
                16            17            18            19            20 
      1   0.995158D+01 -0.421009D+01 -0.545563D+01 -0.371921D+00  0.159288D+01
      2  -0.333735D+01  0.979440D+01  0.248564D+01 -0.385947D+01  0.301818D+01
      3  -0.661423D+01 -0.558431D+01  0.296998D+01  0.423139D+01 -0.461106D+01
      4   0.582269D+01  0.152942D+02  0.765085D+00  0.481390D+01  0.134419D+02
      5  -0.808805D+01  0.241782D+01 -0.415487D+01 -0.336687D+01 -0.230355D+01
      6  -0.190940D+01 -0.454380D+01 -0.385893D+01 -0.793979D+01 -0.659002D+01
                21            22            23            24            25 
      1  -0.639122D+01 -0.169944D+01  0.131469D+02 -0.198905D-01 -0.152590D+01
      2   0.434396D+01  0.447815D+01 -0.161027D+02  0.199068D+01  0.182933D+01
      3   0.204725D+01 -0.277871D+01  0.295575D+01 -0.197079D+01 -0.303431D+00
      4  -0.858494D+01  0.897362D+01  0.865010D+01 -0.536606D+01 -0.522263D+01
      5   0.590169D+01 -0.101826D+01 -0.719078D+01  0.268913D+01  0.555981D+01
      6   0.247972D+01 -0.708373D+01 -0.132239D+01  0.650211D+01  0.107692D+01
                26            27            28            29            30 
      1  -0.129256D+01  0.950014D+01 -0.117616D+02  0.772288D-01  0.479917D+01
      2   0.131234D+01  0.445793D+01  0.340928D+01 -0.282408D-01 -0.578999D+01
      3  -0.197815D-01 -0.139581D+02  0.835229D+01 -0.489879D-01  0.990815D+00
      4  -0.273971D+01  0.170915D+01  0.137164D+00 -0.693634D+01 -0.388140D+00
      5   0.541271D+00  0.522175D+01  0.302994D+01 -0.265673D+00 -0.411846D+01
      6   0.446106D+01  0.493998D+01 -0.239339D+00 -0.336201D+01  0.191083D-01
                31            32            33            34            35 
      1   0.183197D-01  0.381323D+01 -0.371562D+00  0.776189D+01 -0.544260D+00
      2   0.866285D-03 -0.111733D+02  0.412372D+00 -0.853656D+01  0.557433D+00
      3  -0.191860D-01  0.736009D+01 -0.408100D-01  0.774670D+00 -0.131723D-01
      4  -0.817419D+01 -0.414873D-01 -0.626432D+01 -0.512275D+00 -0.845358D+01
      5  -0.176892D+00 -0.367462D+01 -0.765301D-02  0.319502D+01 -0.129042D-01
      6  -0.336363D+01  0.257909D+00 -0.422018D+01 -0.738708D-02  0.226880D+01
                36            37            38            39            40 
      1   0.624972D+00 -0.623896D+00  0.130147D+00 -0.561038D+01  0.305581D+01
      2   0.643665D+00 -0.389863D+01 -0.465923D+01  0.350517D+01 -0.573723D+01
      3  -0.126864D+01  0.452253D+01  0.452908D+01  0.210521D+01  0.268143D+01
      4   0.917008D-02 -0.391030D+01  0.130834D+02  0.876311D+01  0.833040D+01
      5   0.970902D+00 -0.282805D+01  0.182629D+01  0.568056D+01  0.497018D+00
      6  -0.114525D-01  0.745905D+01 -0.691505D+01 -0.245183D+01 -0.732104D+01
                41            42            43            44            45 
      1   0.121436D+02 -0.217027D+00 -0.102825D+01  0.110033D+01  0.936083D+01
      2  -0.147906D+02 -0.162240D+01  0.133291D+01 -0.106265D+01  0.459549D+01
      3   0.264697D+01  0.183942D+01 -0.304660D+00 -0.376783D-01 -0.139563D+02
      4  -0.107571D+02 -0.579096D+01  0.527365D+01 -0.310613D+01 -0.191319D+01
      5  -0.720589D+01 -0.262337D+01  0.551306D+01 -0.570027D+00  0.498241D+01
      6   0.227431D+01  0.671354D+01 -0.111689D+01  0.453457D+01 -0.519288D+01
                46            47            48            49            50 
      1   0.968628D+01 -0.661334D+01  0.127225D+02 -0.567005D+01 -0.138513D+02
      2  -0.545340D+01  0.141039D+02 -0.534570D+01  0.154096D+02  0.289288D+00
      3  -0.423288D+01 -0.749060D+01 -0.737678D+01 -0.973957D+01  0.135620D+02
      4  -0.322609D+01 -0.196547D+02 -0.618963D+01 -0.253404D+02  0.260725D+02
      5   0.106047D+02  0.116998D+01 -0.955828D+01 -0.149878D+00  0.211883D+02
      6  -0.754120D+01  0.442511D+01  0.131297D+01  0.101512D+02 -0.139157D+02
                51            52            53            54            55 
      1   0.499874D+01  0.976364D+01  0.506231D+01 -0.558561D+01 -0.389811D+02
      2  -0.123783D+02 -0.335604D+01 -0.109563D+02  0.265019D+01  0.242938D+02
      3   0.737955D+01 -0.640760D+01  0.589398D+01  0.293542D+01  0.146873D+02
      4   0.183268D+02 -0.578802D+01  0.149086D+02 -0.487565D+00  0.180899D+02
      5  -0.394419D+01 -0.821105D+01 -0.235312D+01 -0.385139D+01 -0.259233D+02
      6  -0.347333D+01  0.207084D+01 -0.449084D+01  0.403301D+01  0.847093D+01
                56            57            58            59            60 
      1   0.100004D+02 -0.231436D+02  0.558503D+01  0.181005D+02 -0.825977D+01
      2  -0.110489D+02  0.132122D+02 -0.813707D+01 -0.917668D+01  0.104881D+02
      3   0.104846D+01  0.993140D+01  0.255204D+01 -0.892380D+01 -0.222836D+01
      4   0.774211D+01  0.841620D+01  0.104784D+02 -0.725114D+01 -0.759078D+01
      5   0.223411D+01 -0.541554D+01 -0.341602D+01 -0.794966D+01  0.471304D+01
      6   0.606128D+01 -0.685287D+00  0.465376D+01  0.982506D+01 -0.103010D+02
                61            62            63            64            65 
      1  -0.197661D+02 -0.552638D+01  0.340408D-01  0.109241D+02 -0.582337D+01
      2   0.116413D+02  0.794340D+01 -0.394661D+01 -0.106645D+02  0.550025D+01
      3   0.812474D+01 -0.241703D+01  0.391257D+01 -0.259571D+00  0.323114D+00
      4   0.603446D+01 -0.645831D+01  0.404310D+01 -0.173522D+02 -0.571051D+01
      5  -0.660680D+01  0.388432D+01  0.457433D+01  0.117714D+02 -0.487940D+01
      6  -0.283041D+00 -0.784959D+01 -0.963437D+00 -0.302069D+01 -0.466382D+01
                66            67            68            69            70 
      1   0.652059D+01 -0.953716D+01 -0.995201D+01 -0.289617D+01  0.405863D+01
      2  -0.707175D+01  0.709617D+01  0.244193D+01  0.120682D+01 -0.386623D+01
      3   0.551166D+00  0.244099D+01  0.751008D+01  0.168935D+01 -0.192403D+00
      4  -0.780114D+01 -0.990726D+00 -0.308151D+01  0.622595D+01 -0.443777D+01
      5   0.906392D+01 -0.517356D+01  0.191720D+01 -0.160108D+01  0.572896D+01
      6  -0.132052D+01 -0.290669D+01 -0.193963D+01  0.414191D+01 -0.977863D+00
                71            72            73            74            75 
      1  -0.148009D+01  0.806895D+01  0.129476D+02  0.434349D+01  0.732143D+01
      2   0.276116D+01  0.668615D+01 -0.125895D+02 -0.437154D+01 -0.776294D+01
      3  -0.128108D+01 -0.147551D+02 -0.358016D+00  0.280523D-01  0.441505D+00
      4   0.247275D+01 -0.407127D+01  0.159815D+02 -0.671890D+01  0.745877D+01
      5  -0.168030D+01 -0.694296D+01  0.123076D+02  0.425558D+01  0.916077D+01
      6   0.433928D+01  0.784685D+00  0.218868D+01 -0.487739D+01  0.110733D+01
                76            77            78            79            80 
      1   0.854152D+01 -0.102700D+02  0.313710D+01  0.456420D+01  0.151414D+01
      2  -0.640383D+01  0.269091D+01 -0.140875D+01 -0.441131D+01 -0.280796D+01
      3  -0.213769D+01  0.757911D+01 -0.172835D+01 -0.152893D+00  0.129382D+01
      4  -0.221158D+01  0.395685D+01  0.570424D+01  0.416421D+01  0.205594D+01
      5   0.464268D+01  0.158727D+01  0.139958D+01  0.590569D+01  0.166119D+01
      6  -0.313834D+01  0.221385D+01  0.403571D+01  0.944978D+00  0.423656D+01
                81            82            83            84            85 
      1   0.846976D+01 -0.617524D+01 -0.294254D+01  0.101916D+02 -0.549457D+01
      2   0.632705D+01  0.913303D+01  0.289094D+01 -0.320890D+01  0.880924D+01
      3  -0.147968D+02 -0.295778D+01  0.515987D-01 -0.698269D+01 -0.331467D+01
      4   0.403136D+01 -0.586275D+01  0.290456D+01  0.513082D+01  0.298828D+01
      5  -0.699160D+01  0.895693D+01 -0.162528D+01 -0.124091D+01 -0.159038D+01
      6  -0.496258D+00  0.529388D+01 -0.477184D+01  0.498867D+01 -0.335491D+01
                86            87            88            89            90 
      1  -0.160142D+02  0.873173D+01  0.749198D+01  0.528882D+01  0.271879D+01
      2   0.152131D+02 -0.161520D+02 -0.559298D+00 -0.926088D+01  0.416678D+01
      3   0.801165D+00  0.742024D+01 -0.693269D+01  0.397206D+01 -0.688558D+01
      4   0.452230D+01 -0.369564D+01  0.620581D+01 -0.330213D+01  0.321400D+01
      5  -0.761729D+01  0.194433D+01 -0.193679D+00  0.846047D+00 -0.229882D+01
      6  -0.128984D+02  0.602313D+01  0.420699D+01  0.299010D+01  0.590274D+01
                91            92            93            94            95 
      1  -0.222130D+01  0.315763D+01 -0.691537D+01  0.573941D+01  0.146179D+02
      2  -0.459397D-01 -0.534518D+01  0.449361D+01 -0.107927D+02 -0.193758D+02
      3   0.226724D+01  0.218755D+01  0.242176D+01  0.505326D+01  0.475787D+01
      4  -0.554601D+01 -0.380871D+01 -0.133230D+02 -0.482132D+01 -0.107203D+02
      5  -0.585085D+01 -0.101037D+01 -0.366777D+01 -0.941991D+00  0.673227D+01
      6  -0.136140D+02  0.375417D+01 -0.875500D+01  0.399780D+01  0.288945D+02
                96            97            98            99           100 
      1  -0.152101D+02 -0.962961D+01 -0.204663D+02  0.295083D+01  0.689907D+02
      2   0.286252D+02  0.745722D+01  0.328741D+02 -0.705031D+01 -0.374325D+02
      3  -0.134151D+02  0.217239D+01 -0.124078D+02  0.409949D+01 -0.315583D+02
      4   0.570651D+01 -0.152439D+02  0.863279D+01 -0.120373D+02 -0.301466D+02
      5  -0.943113D+00 -0.531711D+01 -0.406668D+01 -0.189725D+00  0.312805D+02
      6  -0.104392D+02 -0.120675D+02 -0.137881D+02  0.185368D+01 -0.914081D+01
               101           102           103           104           105 
      1  -0.907557D+01  0.186546D+02  0.172556D+01  0.576742D+01  0.229890D+01
      2   0.233376D+01 -0.127122D+02 -0.456656D+01 -0.178577D+01 -0.349543D+01
      3   0.674181D+01 -0.594242D+01  0.284100D+01 -0.398165D+01  0.119653D+01
      4   0.129599D+02 -0.834728D+01  0.107760D+02 -0.556100D+01  0.433118D+01
      5  -0.458721D+01  0.180477D+02  0.617140D+00  0.548765D+01 -0.611250D+00
      6   0.310792D+01 -0.614589D+01  0.292024D+01 -0.329097D+01  0.378951D+01
               106           107           108           109           110 
      1   0.146804D+02 -0.599314D+00  0.110142D+02 -0.298898D+01 -0.929772D+01
      2  -0.119511D+02 -0.674650D+00 -0.917652D+01  0.291888D+01  0.866178D+01
      3  -0.272934D+01  0.127396D+01 -0.183766D+01  0.700964D-01  0.635936D+00
      4  -0.792660D+01  0.443908D+01 -0.701619D+01 -0.277750D-01 -0.100018D+01
      5   0.207861D+02 -0.409555D+01  0.134275D+02  0.300987D+01 -0.661796D+00
      6  -0.705600D+01  0.449233D+01 -0.472205D+01 -0.516149D+01 -0.571334D+01
               111           112           113           114           115 
      1   0.879934D+01 -0.562059D+01 -0.193943D+02  0.102201D+02  0.578459D+01
      2  -0.473725D+01  0.372064D+01  0.244699D+02 -0.927172D+01 -0.258017D+01
      3  -0.406209D+01  0.189996D+01 -0.507567D+01 -0.948333D+00 -0.320442D+01
      4  -0.199954D+01  0.433476D+01 -0.145740D+02  0.689001D+01 -0.453195D+01
      5  -0.730319D+00 -0.181354D+01  0.709068D+01 -0.871200D+01  0.319636D+01
      6   0.514449D+01 -0.745852D+00 -0.182885D+02  0.144662D+02  0.459669D+00
               116           117           118           119           120 
      1   0.776360D+01 -0.100460D+02  0.147150D+02 -0.934458D+01 -0.514661D+01
      2  -0.596288D+01  0.478177D+01 -0.396242D+00 -0.320003D+01  0.129726D+01
      3  -0.180072D+01  0.526421D+01 -0.143187D+02  0.125446D+02  0.384935D+01
      4   0.695491D+01 -0.542036D+01 -0.243636D+02  0.231084D+02  0.764065D+01
      5  -0.674503D+01  0.800967D+01 -0.109933D+02  0.716960D+01  0.874022D+01
      6   0.131526D+02 -0.134357D+02  0.725606D+01 -0.574358D+01 -0.462293D+01
               121           122           123           124           125 
      1  -0.800965D+01 -0.754305D+00 -0.182948D+01 -0.359893D+01 -0.178459D+01
      2  -0.904889D+01  0.246534D+02  0.685490D+01  0.958394D+00  0.399502D+01
      3   0.170585D+02 -0.238991D+02 -0.502542D+01  0.264053D+01 -0.221044D+01
      4   0.323562D+02 -0.449946D+02 -0.151538D+02  0.880420D+01 -0.122078D+02
      5   0.987015D+01 -0.153959D+02 -0.101330D+02  0.115606D+02 -0.107410D+02
      6  -0.102728D+02  0.181591D+02  0.116160D+02 -0.795027D+01  0.122843D+02
               126           127           128           129           130 
      1   0.735525D+00  0.231048D+02  0.762500D+01 -0.989139D+01  0.157153D+02
      2   0.157121D+01 -0.165704D+02 -0.686872D+01  0.835369D+01 -0.134155D+02
      3  -0.230673D+01 -0.653445D+01 -0.756285D+00  0.153769D+01 -0.229974D+01
      4  -0.116608D+02  0.184249D+01  0.676747D+01 -0.418514D-01  0.703684D+01
      5  -0.882699D+01 -0.153671D+02 -0.399729D+01  0.125785D+02 -0.914019D+01
      6   0.855606D+01  0.911284D+00 -0.185977D+01 -0.193780D+01 -0.277629D+01
               131           132           133           134           135 
      1   0.927198D+01 -0.549869D+01 -0.959680D+01 -0.153592D+01  0.643281D+01
      2  -0.860006D+01  0.877133D+01  0.918206D+01  0.501592D+01 -0.109764D+02
      3  -0.671926D+00 -0.327264D+01  0.414738D+00 -0.348000D+01  0.454355D+01
      4   0.888254D+01 -0.731240D+01  0.164255D+01 -0.618629D+01  0.285676D+01
      5  -0.104161D+02  0.116392D+02  0.134708D+02  0.585461D+01 -0.151577D+02
      6  -0.175985D+01  0.505956D+00 -0.150478D+01  0.245297D+01  0.123679D+01
               136           137           138           139           140 
      1   0.178122D+02  0.107529D+02 -0.579156D+01  0.101790D+02  0.229674D+01
      2  -0.211741D+01  0.223170D+01  0.171590D+01  0.722021D+01  0.202720D+02
      3  -0.156948D+02 -0.129846D+02  0.407566D+01 -0.173992D+02 -0.225687D+02
      4   0.261689D+02  0.237529D+02 -0.801068D+01  0.331404D+02  0.434843D+02
      5  -0.121105D+02 -0.760728D+01  0.937146D+01 -0.104759D+02 -0.154240D+02
      6  -0.747536D+01 -0.589288D+01  0.471140D+01 -0.102773D+02 -0.168046D+02
               141           142           143           144           145 
      1   0.760373D+00 -0.427525D+01  0.962130D+00  0.173696D+01  0.218739D+02
      2  -0.561186D+01  0.159328D+01 -0.303920D+01  0.570173D+00 -0.154396D+02
      3   0.485149D+01  0.268197D+01  0.207707D+01 -0.230714D+01 -0.643435D+01
      4  -0.151664D+02 -0.903429D+01 -0.120190D+02  0.116763D+02 -0.284681D+01
      5   0.102376D+02  0.123545D+02  0.107510D+02 -0.920267D+01 -0.147346D+02
      6   0.109821D+02  0.793710D+01  0.114857D+02 -0.818085D+01 -0.464967D+00
               146           147           148           149           150 
      1  -0.756504D+01 -0.957854D+01 -0.156703D+02  0.942455D+01  0.524929D+01
      2   0.661943D+01  0.792830D+01  0.131082D+02 -0.854134D+01 -0.844136D+01
      3   0.945609D+00  0.165024D+01  0.256204D+01 -0.883206D+00  0.319208D+01
      4   0.719023D+01  0.540772D+00  0.798944D+01 -0.102020D+02 -0.793073D+01
      5   0.412280D+01  0.121195D+02  0.917480D+01 -0.108899D+02 -0.121249D+02
      6  -0.192511D+01  0.143379D+01 -0.305870D+01  0.239689D+01  0.935976D+00
               151           152           153           154           155 
      1  -0.958003D+01  0.136872D+01  0.613105D+01  0.720677D+02  0.744043D+01
      2   0.901682D+01 -0.483730D+01 -0.106246D+02 -0.399672D+02 -0.186439D+01
      3   0.563204D+00  0.346859D+01  0.449350D+01 -0.321004D+02 -0.557604D+01
      4  -0.113378D+01 -0.641778D+01 -0.357259D+01  0.265991D+02  0.115308D+02
      5   0.131951D+02 -0.627772D+01 -0.150758D+02  0.320232D+02  0.361402D+01
      6   0.104476D+01  0.267438D+01 -0.551044D+00  0.810944D+01  0.269363D+01
               156           157           158           159           160 
      1   0.193897D+02 -0.354501D+01  0.597157D+01 -0.277278D+01  0.153745D+02
      2  -0.133358D+02  0.523703D+01 -0.230729D+01  0.369604D+01 -0.125998D+02
      3  -0.605393D+01 -0.169202D+01 -0.366428D+01 -0.923260D+00 -0.277469D+01
      4   0.720557D+01  0.101740D+02  0.433390D+01  0.425424D+01  0.690575D+01
      5   0.184099D+02 -0.163257D+01  0.548636D+01 -0.314363D-01  0.212964D+02
      6   0.553573D+01  0.273623D+01  0.283342D+01  0.351287D+01  0.634652D+01
               161           162           163           164           165 
      1   0.290152D+00  0.116438D+02 -0.227109D+01  0.861682D+01  0.857847D+01
      2   0.842890D+00 -0.978611D+01  0.234396D+01 -0.778684D+01 -0.457688D+01
      3  -0.113304D+01 -0.185774D+01 -0.728732D-01 -0.829982D+00 -0.400159D+01
      4   0.409934D+01  0.613729D+01  0.458356D+00 -0.119951D+01  0.166571D+01
      5   0.336499D+01  0.136578D+02  0.334243D+01  0.536078D+00 -0.612450D+00
      6   0.403283D+01  0.414867D+01  0.474262D+01 -0.532162D+01 -0.458362D+01
               166           167           168           169           170 
      1   0.530024D+01 -0.187114D+02 -0.996562D+01  0.583990D+01 -0.747044D+01
      2  -0.319692D+01  0.236809D+02  0.884140D+01 -0.271738D+01  0.553601D+01
      3  -0.210332D+01 -0.496956D+01  0.112422D+01 -0.312253D+01  0.193442D+01
      4   0.460487D+01  0.162839D+02  0.761210D+01  0.444283D+01  0.735842D+01
      5   0.195953D+01  0.774152D+01  0.935547D+01  0.343899D+01  0.714157D+01
      6  -0.276192D+00  0.182198D+02  0.142809D+02 -0.879982D-01  0.129035D+02
               171           172           173           174           175 
      1  -0.959064D+01  0.118399D+02 -0.627577D+01 -0.509761D-01 -0.111135D+02
      2   0.433573D+01 -0.401219D+01  0.271990D+01 -0.326010D+00  0.611990D+01
      3   0.525491D+01 -0.782768D+01  0.355587D+01  0.376987D+00  0.499356D+01
      4   0.601745D+01 -0.106324D+02  0.111194D+02 -0.230156D+01  0.890372D+01
      5   0.852164D+01  0.287906D+01 -0.311652D+01  0.276395D+01 -0.813758D+01
      6   0.130620D+02 -0.274803D+01  0.370712D+01 -0.135363D+01  0.420140D+01
               176           177           178           179           180 
      1   0.457860D+01 -0.217478D+01 -0.599623D+01  0.906602D+00 -0.118106D+01
      2   0.698146D+00  0.365066D+01  0.321224D+01  0.931698D+00 -0.591570D+00
      3  -0.527675D+01 -0.147588D+01  0.278399D+01 -0.183830D+01  0.177263D+01
      4  -0.171744D+02  0.169396D+01 -0.223606D+01 -0.215188D+01 -0.380807D+01
      5   0.311272D+01 -0.560656D+01 -0.150535D+00 -0.313251D+01  0.516607D+00
      6  -0.660534D+01  0.195365D+01 -0.113276D+01  0.882814D+00 -0.169774D+01
               181           182           183           184           185 
      1  -0.387507D+01 -0.322085D+00  0.296231D+01  0.234714D+00 -0.109141D+01
      2   0.149603D+01 -0.332759D+00  0.189559D+01 -0.803501D-01 -0.190610D+01
      3   0.237904D+01  0.654844D+00 -0.485789D+01 -0.154364D+00  0.299751D+01
      4  -0.298202D+01  0.478259D+00 -0.622922D+00  0.312329D+01 -0.187782D+00
      5  -0.168403D+01 -0.475002D+00  0.420349D+00 -0.501776D+00  0.295936D+01
      6   0.127809D+00  0.752151D+00 -0.846864D-01  0.159151D+01 -0.283433D+00
               186           187           188           189           190 
      1   0.175373D-02  0.265536D+01  0.184565D+01 -0.166777D+02 -0.431502D+01
      2   0.753028D+00 -0.569882D+01  0.162936D+01 -0.185137D+02  0.602665D+01
      3  -0.754782D+00  0.304347D+01 -0.347502D+01  0.351913D+02 -0.171162D+01
      4   0.322578D+01  0.112428D+01  0.426440D+01 -0.347640D+01 -0.439020D+01
      5  -0.651532D+00  0.797038D+01 -0.218680D+01  0.224872D+02  0.279479D+01
      6   0.524252D+01  0.271627D+00  0.360090D+01  0.778988D+00  0.185474D+00
               191           192           193           194           195 
      1   0.617186D+01 -0.170346D+01  0.679639D+01 -0.195201D+02  0.419856D+01
      2  -0.782258D+01  0.959122D+00 -0.675779D+01  0.301795D+02 -0.329285D+01
      3   0.165072D+01  0.744342D+00 -0.386025D-01 -0.106594D+02 -0.905709D+00
      4   0.674595D+00  0.179328D+01  0.590794D+01  0.159372D+01 -0.333983D+00
      5  -0.442822D+00 -0.846126D+00 -0.290764D+01  0.191720D+01  0.888417D+00
      6   0.639881D+01 -0.307122D+01  0.180867D+01 -0.111922D+02  0.606166D+01
               196           197           198           199           200 
      1   0.152731D+01  0.102102D+01 -0.441900D+01 -0.378744D+00  0.136423D+01
      2  -0.131930D+01  0.229655D+01  0.242370D+01 -0.248519D+01 -0.100804D+01
      3  -0.208015D+00 -0.331756D+01  0.199529D+01  0.286393D+01 -0.356197D+00
      4   0.321885D+01  0.370772D+01 -0.170886D+01  0.126917D+00 -0.720714D+00
      5  -0.108179D+01 -0.208550D+00  0.772459D+00 -0.179506D+01  0.224011D+00
      6  -0.226946D+01  0.250064D+01 -0.177984D+01 -0.390214D+00  0.217569D+01
               201           202           203           204           205 
      1  -0.326951D+01 -0.124603D+01 -0.381830D+01  0.285979D+00 -0.303642D+01
      2   0.808424D+00  0.102746D+01  0.138148D+01 -0.428002D+01  0.253473D+01
      3   0.246108D+01  0.218573D+00  0.243682D+01  0.399404D+01  0.501693D+00
      4  -0.891877D+00 -0.216990D+01 -0.341068D+01  0.243212D+00 -0.382969D+01
      5   0.373830D+01  0.100712D+01  0.642862D+00 -0.221520D+01  0.416317D+01
      6  -0.184088D+01  0.201869D+01 -0.487847D+00  0.201276D+01  0.777972D+00
               206           207           208           209           210 
      1   0.459916D+01 -0.203207D+02 -0.466640D+01 -0.675595D+01 -0.203528D+01
      2  -0.595446D+00 -0.140888D+02  0.641258D+01  0.877480D+01  0.125291D+01
      3  -0.400371D+01  0.344095D+02 -0.174619D+01 -0.201885D+01  0.782368D+00
      4  -0.273614D+01 -0.535798D+00  0.492580D+01  0.107795D+01 -0.167413D+01
      5   0.288348D+01 -0.139553D+02  0.281598D+01  0.694125D+00 -0.751815D+00
      6   0.729459D+01 -0.181004D+02  0.729100D-01  0.683039D+01  0.336431D+01
               211           212           213           214           215 
      1  -0.693219D+01 -0.189467D+02 -0.408983D+01  0.120519D+01 -0.710792D+00
      2   0.727627D+01  0.295117D+02  0.321951D+01 -0.114456D+01 -0.262580D+01
      3  -0.344083D+00 -0.105650D+02  0.870315D+00 -0.606334D-01  0.333659D+01
      4   0.626143D+01  0.234006D+00  0.514072D-01 -0.319504D+01  0.379508D+01
      5   0.294939D+01  0.223027D+01 -0.593054D+00 -0.989624D+00  0.365673D+00
      6   0.214071D+01  0.106547D+02  0.593238D+01  0.243332D+01  0.235862D+01
               216           217           218           219           220 
      1  -0.425267D+01 -0.436057D+00 -0.155587D+01 -0.319475D+01  0.921844D+00
      2   0.225928D+01 -0.244473D+01  0.121764D+01  0.908741D+00 -0.682838D+00
      3   0.199339D+01  0.288078D+01  0.338223D+00  0.228601D+01 -0.239006D+00
      4   0.201642D+01 -0.326363D+00 -0.450582D+00  0.108891D+01 -0.208926D+01
      5   0.848855D+00 -0.180621D+01 -0.201954D-01  0.390742D+01 -0.802582D+00
      6   0.172495D+01  0.666986D+00  0.218125D+01  0.176675D+01  0.205225D+01
               221           222           223           224           225 
      1  -0.350305D+01 -0.141989D+00 -0.290468D+01 -0.473243D+01 -0.202644D+02
      2   0.107637D+01  0.419688D+01  0.221181D+01  0.723081D+00 -0.141030D+02
      3   0.242668D+01 -0.405489D+01  0.692873D+00  0.400935D+01  0.343674D+02
      4   0.375181D+01  0.405648D+00  0.395796D+01 -0.268026D+01  0.788352D+00
      5   0.712538D+00  0.210889D+01  0.400258D+01 -0.275415D+01 -0.131212D+02
      6   0.282398D+00  0.185629D+01 -0.633840D+00  0.747839D+01  0.187336D+02
               226           227           228           229           230 
      1   0.134333D+02  0.692417D+01  0.210265D+00  0.115146D+02  0.508238D+01
      2  -0.525321D+01 -0.349776D+01 -0.629522D+00 -0.669743D+01 -0.909154D-01
      3  -0.818008D+01 -0.342640D+01  0.419257D+00 -0.481717D+01 -0.499146D+01
      4   0.107512D+02  0.109430D+02  0.234742D+01  0.838809D+01  0.162182D+02
      5   0.342647D+01  0.328685D+01  0.301395D+01  0.830206D+01  0.282165D+01
      6   0.293864D+01  0.373655D+01  0.130036D+01  0.402671D+01  0.607715D+01
               231           232           233           234           235 
      1   0.234490D+01 -0.583104D+01 -0.810965D+00 -0.863931D+00 -0.359391D+01
      2  -0.383057D+01  0.298166D+01 -0.919403D+00 -0.886978D+00  0.122609D+01
      3   0.148567D+01  0.284938D+01  0.173037D+01  0.175091D+01  0.236782D+01
      4   0.132058D+01  0.253299D+01 -0.228696D+01  0.381496D+01  0.332802D+01
      5   0.557578D+01  0.281075D-01  0.317547D+01  0.565658D+00 -0.162112D+01
      6   0.168986D+01  0.115025D+01  0.723032D+00  0.167010D+01  0.277497D-01
               236           237           238           239           240 
      1   0.466982D+00  0.303441D+01  0.140026D+00 -0.109619D+01  0.126615D+00
      2   0.156566D+00  0.179559D+01 -0.320841D+00 -0.191847D+01 -0.111050D+01
      3  -0.623548D+00 -0.483001D+01  0.180815D+00  0.301466D+01  0.983887D+00
      4   0.338359D+00  0.696485D+00  0.299680D+01 -0.345605D-02  0.316054D+01
      5   0.710103D+00  0.459943D+00  0.759064D+00  0.290937D+01  0.857031D+00
      6   0.737592D+00  0.293243D+00  0.158066D+01  0.524893D-01  0.519773D+01
               241           242           243           244           245 
      1   0.246884D+01 -0.159143D+01 -0.163817D+02 -0.213311D+01 -0.267322D+01
      2  -0.565578D+01 -0.175701D+01 -0.188003D+02  0.153441D+00  0.478473D+01
      3   0.318694D+01  0.334844D+01  0.351819D+02  0.197967D+01 -0.211151D+01
      4  -0.130562D+01  0.432247D+01  0.338633D+01  0.542115D+01 -0.327481D+01
      5   0.803183D+01  0.199911D+01  0.224039D+02 -0.514761D+01  0.167184D+01
      6  -0.463672D+00  0.352607D+01 -0.174067D+01  0.141306D+02  0.169876D+01
               246           247           248           249           250 
      1  -0.499886D+01 -0.533055D+01  0.157498D+02  0.158278D+02 -0.729746D+01
      2   0.193071D+01  0.102426D+02 -0.206867D+02 -0.291148D+02  0.456544D+01
      3   0.306815D+01 -0.491201D+01  0.493684D+01  0.132870D+02  0.273202D+01
      4   0.139603D+02 -0.378341D+01  0.938986D+01  0.309093D+01  0.162269D+02
      5  -0.328143D+01  0.157747D+01  0.530712D+01  0.590616D+00 -0.464518D+01
      6   0.849908D+01  0.199633D+01 -0.293834D+02 -0.107521D+02  0.116677D+02
               251           252           253           254           255 
      1   0.215646D+02  0.399919D+01 -0.522000D+01  0.270674D+01  0.927861D+01
      2  -0.338918D+02 -0.815999D+01  0.807231D+01 -0.284621D+01 -0.200034D+01
      3   0.123272D+02  0.416080D+01 -0.285231D+01  0.139473D+00 -0.727826D+01
      4   0.554119D+01  0.115599D+02  0.675844D+01  0.225923D+01 -0.585986D+01
      5   0.368646D+01 -0.303508D+00  0.881246D+01  0.675041D+00 -0.155355D+01
      6  -0.145858D+02 -0.176724D+01 -0.607714D+01 -0.398157D+01 -0.459956D+01
               256           257           258           259           260 
      1   0.525616D+01 -0.166564D+02 -0.938496D+01  0.670562D+01 -0.584013D+01
      2  -0.872093D+01  0.160476D+02  0.164918D+02  0.411265D+00  0.945638D+01
      3   0.346476D+01  0.608886D+00 -0.710689D+01 -0.711689D+01 -0.361625D+01
      4   0.191271D+01 -0.325477D+01 -0.232355D+01 -0.670087D+01 -0.231884D+01
      5   0.671864D+00 -0.711734D+01 -0.156430D+01 -0.473121D+00 -0.669439D+00
      6  -0.256156D+01  0.134165D+02  0.624845D+01 -0.403580D+01  0.322798D+01
               261           262           263           264           265 
      1   0.241936D+01  0.171522D+02 -0.294680D+01 -0.537469D+01 -0.374074D+00
      2   0.450775D+01 -0.151048D+02  0.591499D+01  0.765861D+01  0.215707D+01
      3  -0.692711D+01 -0.204738D+01 -0.296818D+01 -0.228391D+01 -0.178299D+01
      4  -0.310898D+01  0.146910D+02  0.580027D+01 -0.687033D+01  0.124324D+01
      5  -0.253022D+01 -0.172959D+02 -0.232584D+01  0.106524D+02  0.239763D+01
      6  -0.586059D+01 -0.693374D+01 -0.342639D+01  0.615020D+01 -0.405790D-01
               266           267           268           269           270 
      1   0.456947D+01 -0.709642D+00 -0.360885D+01 -0.895316D+00  0.148087D+01
      2  -0.320841D+01 -0.153017D+00  0.682520D+01  0.200794D+01 -0.720220D+01
      3  -0.136106D+01  0.862659D+00 -0.321635D+01 -0.111262D+01  0.572133D+01
      4   0.130287D+00  0.462801D+00 -0.279142D+01  0.539257D-01  0.297762D+01
      5  -0.150733D+00 -0.125336D+01  0.787687D+01 -0.109613D+00 -0.714598D+01
      6   0.184401D+01 -0.338222D+00  0.319821D+01  0.105526D+01 -0.469504D+01
               271           272           273           274           275 
      1  -0.312689D+00  0.616960D+01 -0.731670D+01  0.181771D+01 -0.169271D+01
      2  -0.430500D+01 -0.628870D+01 -0.167873D+01 -0.190867D+01 -0.566965D+00
      3   0.461769D+01  0.119103D+00  0.899542D+01  0.909622D-01  0.225967D+01
      4  -0.365737D+01 -0.101435D+01 -0.329170D+01 -0.781402D-01 -0.211083D+01
      5   0.176076D+01  0.346519D+00  0.328264D+01 -0.440765D-01  0.232963D+01
      6  -0.257420D+01  0.552376D+01 -0.843046D+01  0.253452D+01 -0.229745D+01
               276           277           278           279           280 
      1   0.146795D+01 -0.261044D+01  0.586922D+01 -0.148395D+02  0.125499D+02
      2  -0.538795D+00 -0.102013D+01 -0.211380D+01 -0.123186D+02 -0.292094D+01
      3  -0.929156D+00  0.363057D+01 -0.375541D+01  0.271581D+02 -0.962893D+01
      4   0.134618D+01 -0.330967D+01 -0.772363D+00 -0.295422D+01  0.253080D+02
      5  -0.103387D+01  0.386792D+01  0.250942D+00 -0.137596D+01  0.767382D+01
      6   0.497047D+01 -0.182323D+01  0.734090D+01 -0.199085D+02  0.991302D+01
               281           282           283           284           285 
      1  -0.252848D+01  0.461504D+01 -0.337864D+01 -0.147288D+01 -0.912491D+00
      2   0.102581D+02 -0.146733D+01  0.758238D+01  0.589987D+01  0.131119D+01
      3  -0.772959D+01 -0.314771D+01 -0.420374D+01 -0.442699D+01 -0.398701D+00
      4   0.120172D+02  0.979483D+01  0.659071D+01  0.911103D+01  0.199863D+01
      5   0.162416D+01  0.647075D+01  0.652500D+00  0.187192D+01  0.768224D+00
      6   0.295960D+01  0.861965D+01  0.123859D+01  0.194842D+01  0.360247D+01
               286           287           288           289           290 
      1   0.528202D+01 -0.108526D+01  0.663183D+00 -0.335523D+01 -0.875991D+00
      2  -0.238198D+01  0.455478D+01  0.480766D+00  0.857928D+01  0.587581D+01
      3  -0.290004D+01 -0.346951D+01 -0.114395D+01 -0.522406D+01 -0.499982D+01
      4   0.157325D+02  0.608782D+01  0.107224D+02  0.786736D+01  0.154928D+02
      5   0.800471D+01  0.310520D+01  0.787510D+01 -0.149268D+01 -0.341331D+01
      6   0.111307D+02  0.806909D+01  0.136108D+02 -0.459849D+01 -0.433213D+01
               291           292           293           294           295 
      1   0.104585D+01 -0.428158D+01 -0.354008D+02  0.128781D+02  0.384239D+01
      2  -0.232114D+01  0.105783D+02  0.629061D+02 -0.201839D+02 -0.566855D+01
      3   0.127529D+01 -0.629667D+01 -0.275052D+02  0.730584D+01  0.182616D+01
      4  -0.476533D+01  0.122916D+02  0.192910D+02 -0.745857D+01 -0.547768D+01
      5   0.375865D+01 -0.198276D+01 -0.472180D+01  0.312575D+01  0.416596D+01
      6   0.357574D+01 -0.606765D+01 -0.292718D+02  0.183089D+02  0.742573D+01
               296           297           298           299           300 
      1   0.192517D+02 -0.131389D+02 -0.377789D+01  0.775881D+00  0.857869D+00
      2  -0.276676D+02  0.156382D+02  0.854536D+01 -0.477643D+01 -0.182474D+01
      3   0.841591D+01 -0.249926D+01 -0.476747D+01  0.400055D+01  0.966869D+00
      4  -0.104793D+02  0.831263D+01 -0.615738D+01  0.147722D+02  0.439310D+01
      5   0.521960D+01 -0.459371D+01 -0.109316D+01  0.312841D+01  0.350045D+01
      6   0.265830D+02 -0.215459D+02  0.430212D+01 -0.338456D+01 -0.292919D+01
               301           302           303           304           305 
      1   0.385682D+01 -0.371869D+02 -0.135014D+02  0.339786D+01 -0.203396D+02
      2  -0.912855D+01  0.651396D+02  0.208539D+02 -0.484611D+01  0.288817D+02
      3   0.527173D+01 -0.279527D+02 -0.735248D+01  0.144825D+01 -0.854214D+01
      4   0.111667D+02 -0.160050D+02 -0.614291D+01  0.466054D+01 -0.858678D+01
      5   0.161129D+01 -0.362546D+01 -0.246168D+01  0.364901D+01 -0.420678D+01
      6  -0.501282D+01  0.298584D+02  0.185247D+02 -0.638913D+01  0.271425D+02
               306           307           308           309           310 
      1  -0.138255D+02  0.105885D+02  0.288272D+01  0.375542D+01  0.330253D+01
      2   0.163391D+02 -0.145073D+01 -0.108077D+02 -0.564148D+00 -0.769554D+01
      3  -0.251352D+01 -0.913779D+01  0.792494D+01 -0.319127D+01  0.439301D+01
      4  -0.699338D+01 -0.252002D+02  0.121228D+02 -0.100245D+02  0.681829D+01
      5  -0.363223D+01  0.715962D+01 -0.180253D+01  0.606711D+01 -0.865507D+00
      6   0.217079D+02 -0.101003D+02  0.349641D+01 -0.877896D+01  0.165620D+01
               311           312           313           314           315 
      1  -0.258945D+01  0.878953D+00  0.391925D+01  0.137347D+01 -0.287203D+00
      2   0.750913D+01 -0.140056D+01 -0.115020D+01 -0.494331D+01  0.144745D+01
      3  -0.491968D+01  0.521609D+00 -0.276905D+01  0.356984D+01 -0.116025D+01
      4  -0.954383D+01  0.233515D+01 -0.157728D+02  0.651091D+01 -0.107336D+02
      5   0.183399D+01 -0.879658D+00  0.739033D+01 -0.312115D+01  0.727874D+01
      6  -0.219851D+01  0.400147D+01 -0.111236D+02  0.872910D+01 -0.139889D+02
               316           317           318           319           320 
      1   0.158487D+02  0.289540D+01 -0.466575D+01 -0.927006D-01  0.427290D+01
      2  -0.140352D+02 -0.591534D+01  0.700696D+01 -0.172177D+01 -0.272137D+01
      3  -0.181349D+01  0.301994D+01 -0.234120D+01  0.181447D+01 -0.155153D+01
      4  -0.158259D+02  0.601842D+01  0.747245D+01  0.176520D+01 -0.871271D+00
      5  -0.169051D+02  0.296969D+01  0.104018D+02 -0.157592D+01 -0.220317D+00
      6   0.757056D+01 -0.391295D+01 -0.665350D+01 -0.348494D+00 -0.158540D+01
               321           322           323           324           325 
      1   0.972876D+00 -0.328151D+01  0.104197D+01  0.118766D+01 -0.376897D+00
      2  -0.205498D+00  0.645364D+01 -0.228458D+01 -0.691343D+01 -0.424459D+01
      3  -0.767378D+00 -0.317213D+01  0.124261D+01  0.572577D+01  0.462149D+01
      4   0.112682D+00  0.330565D+01 -0.215570D+00 -0.337442D+01  0.343993D+01
      5   0.740423D+00  0.777092D+01 -0.215377D+00 -0.695960D+01  0.187555D+01
      6  -0.727998D-01 -0.353848D+01  0.123715D+01  0.504076D+01  0.287956D+01
               326           327           328           329           330 
      1  -0.624535D+01 -0.703848D+01 -0.185620D+01 -0.117591D+01 -0.106223D+01
      2   0.648334D+01 -0.197516D+01  0.205032D+01 -0.111245D+01  0.527437D+00
      3  -0.237985D+00  0.901364D+01 -0.194119D+00  0.228836D+01  0.534798D+00
      4  -0.503980D+00  0.360264D+01  0.336324D-01  0.217370D+01  0.126694D+01
      5  -0.590950D-01  0.372646D+01  0.190444D+00  0.241179D+01  0.107953D+01
      6   0.546504D+01  0.845622D+01  0.249561D+01  0.187007D+01  0.456355D+01
               331           332           333 
      1  -0.258550D+01 -0.578820D+01 -0.145458D+02
      2  -0.122415D+01  0.222411D+01 -0.126133D+02
      3   0.380964D+01  0.356409D+01  0.271592D+02
      4   0.334910D+01 -0.553668D+00  0.306331D+01
      5   0.395377D+01 -0.937075D-01 -0.470893D+00
      6   0.199295D+01  0.722912D+01  0.199528D+02
 Leave Link  716 at Fri Jul  9 01:50:58 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153464D+03 -0.969045D-02 -0.515867D-01
      2  -0.969045D-02  0.152324D+03  0.375667D-03
      3  -0.515867D-01  0.375667D-03  0.124393D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.181128D+00  0.151823D+00  0.154199D+01
      2   0.667253D-01  0.359325D+01 -0.327517D-01
      3   0.203334D+01 -0.819166D-01 -0.576673D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.620399D+01 -0.950912D+02 -0.164485D+00
      2   0.633621D+01  0.101271D+03  0.156549D+00
      3  -0.132220D+00 -0.617952D+01  0.793528D-02
      4  -0.929940D+02  0.636079D+01 -0.472620D+01
      5  -0.163304D+00  0.868833D+00 -0.240788D+00
      6  -0.869540D+01  0.134473D+00 -0.938765D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.732526D+01  0.558864D+00  0.373581D+01 -0.114314D+01 -0.297347D+01
      2   0.558864D+00 -0.262975D+01 -0.152391D+00 -0.297347D+01  0.850032D+00
      3   0.373581D+01 -0.152391D+00  0.448225D+00 -0.885381D+00  0.226871D+01
                 6             7             8             9            10 
      1  -0.885381D+00  0.334671D+01 -0.224439D+00  0.663224D+00 -0.141592D+01
      2   0.226871D+01 -0.224439D+00  0.173097D+01  0.119698D+01  0.551128D+00
      3   0.111793D+01  0.663224D+00  0.119698D+01 -0.719738D+00 -0.227849D+01
                11            12            13            14            15 
      1   0.551128D+00 -0.227849D+01  0.183718D+01  0.533002D+01 -0.748615D+00
      2   0.405759D+01  0.176699D-01  0.533002D+01  0.258704D+01 -0.360092D+01
      3   0.176699D-01  0.909316D+00 -0.748615D+00 -0.360092D+01 -0.328459D+00
                16            17            18            19            20 
      1  -0.201591D+01 -0.577029D+00  0.115698D+01 -0.182242D+01 -0.358798D+01
      2  -0.577029D+00 -0.300117D+01 -0.187195D+00 -0.358798D+01 -0.619971D+01
      3   0.115698D+01 -0.187195D+00  0.825724D+00  0.330450D+01  0.238977D+01
                21            22            23            24            25 
      1   0.330450D+01 -0.191025D+01 -0.424987D+01  0.140014D+01  0.211289D+01
      2   0.238977D+01 -0.424987D+01 -0.304791D+01  0.289240D+01  0.135438D+01
      3  -0.143288D+01  0.140014D+01  0.289240D+01 -0.176447D+01 -0.115893D+01
                26            27            28            29            30 
      1   0.135438D+01 -0.115893D+01  0.652181D-01  0.162559D+01 -0.559704D-02
      2   0.320465D+01 -0.189585D+01  0.162559D+01 -0.140014D+00 -0.161649D+01
      3  -0.189585D+01 -0.154797D+01 -0.559704D-02 -0.161649D+01 -0.732009D-02
                31            32            33            34            35 
      1   0.165397D+01 -0.118624D+00  0.185160D+01 -0.145196D-01 -0.596345D-01
      2  -0.118624D+00 -0.197208D+01 -0.303168D-02 -0.596345D-01 -0.915093D-03
      3   0.185160D+01 -0.303168D-02  0.186631D+00 -0.286817D-02  0.984366D-01
                36            37            38            39            40 
      1  -0.286817D-02  0.140574D+01 -0.319406D+01 -0.313320D+01 -0.159326D+01
      2   0.984366D-01 -0.319406D+01  0.634083D+01  0.239478D+01  0.430615D+01
      3  -0.462804D-02 -0.313320D+01  0.239478D+01  0.135184D+01  0.140037D+01
                41            42            43            44            45 
      1   0.430615D+01  0.140037D+01 -0.201040D+01  0.130196D+01  0.107223D+01
      2  -0.370145D+01 -0.305876D+01  0.130196D+01 -0.333555D+01 -0.193817D+01
      3  -0.305876D+01 -0.181782D+01  0.107223D+01 -0.193817D+01  0.154828D+01
                46            47            48            49            50 
      1   0.151255D+01  0.621756D-01  0.225578D+01  0.131427D+01 -0.528295D+01
      2   0.621756D-01 -0.391818D+01  0.764412D-01 -0.528295D+01  0.320504D+01
      3   0.225578D+01  0.764412D-01 -0.926716D+00 -0.687083D+00  0.363086D+01
                51            52            53            54            55 
      1  -0.687083D+00  0.199049D+01 -0.528666D+00 -0.117227D+01 -0.722685D+01
      2   0.363086D+01 -0.528666D+00  0.305406D+01 -0.155492D+00  0.109740D+01
      3  -0.293348D+00 -0.117227D+01 -0.155492D+00 -0.806403D+00 -0.374472D+01
                56            57            58            59            60 
      1   0.109740D+01 -0.374472D+01 -0.580695D+00  0.301064D+01 -0.819162D+00
      2   0.254508D+01 -0.724934D-01  0.301064D+01  0.464431D+00 -0.222676D+01
      3  -0.724934D-01 -0.400399D+00 -0.819162D+00 -0.222676D+01  0.114379D+01
                61            62            63            64            65 
      1  -0.334459D+01 -0.150509D+00 -0.594847D+00  0.953243D+01 -0.126148D+01
      2  -0.150509D+00 -0.170092D+01  0.122098D+01 -0.126148D+01 -0.131157D+01
      3  -0.594847D+00  0.122098D+01  0.718926D+00  0.491314D+01 -0.545560D+00
                66            67            68            69            70 
      1   0.491314D+01 -0.386399D+01 -0.873407D+00 -0.162623D+01  0.422263D+01
      2  -0.545560D+00 -0.873407D+00 -0.395374D+00  0.160406D+01 -0.152093D-01
      3   0.250025D+01 -0.162623D+01  0.160406D+01 -0.643883D+00  0.233852D+01
                71            72            73            74            75 
      1  -0.152093D-01  0.233852D+01 -0.975473D+01 -0.748667D+00 -0.499021D+01
      2   0.122846D+01 -0.211560D+00 -0.748667D+00  0.138118D+01 -0.399885D+00
      3  -0.211560D+00 -0.146453D+01 -0.499021D+01 -0.399885D+00 -0.251387D+01
                76            77            78            79            80 
      1  -0.337871D+01  0.104553D+01 -0.148421D+01 -0.421731D+01  0.109814D+00
      2   0.104553D+01 -0.529461D+00 -0.151606D+01  0.109814D+00 -0.122911D+01
      3  -0.148421D+01 -0.151606D+01 -0.535846D+00 -0.234956D+01 -0.118600D+00
                81            82            83            84            85 
      1  -0.234956D+01 -0.389122D+00  0.165176D+01  0.827793D+00  0.265039D+01
      2  -0.118600D+00  0.165176D+01  0.191319D+01 -0.132766D+01  0.423270D+01
      3   0.146854D+01  0.827793D+00 -0.132766D+01  0.148571D+01 -0.187975D+01
                86            87            88            89            90 
      1   0.423270D+01 -0.187975D+01  0.190184D+00 -0.128716D+01  0.220399D+01
      2   0.776533D+01 -0.513094D+01 -0.128716D+01 -0.357153D+01  0.110498D+01
      3  -0.513094D+01  0.139126D+01  0.220399D+01  0.110498D+01  0.474455D+00
                91            92            93            94            95 
      1  -0.109165D+01 -0.489331D+00 -0.247701D+01 -0.795991D+00 -0.170540D+01
      2  -0.489331D+00 -0.841847D+00  0.590747D+00 -0.170540D+01 -0.346262D+01
      3  -0.247701D+01  0.590747D+00 -0.158248D+01  0.480723D+00  0.435047D+01
                96            97            98            99           100 
      1   0.480723D+00 -0.312214D+01  0.110117D+01 -0.219724D+01  0.104878D+02
      2   0.435047D+01  0.110117D+01  0.604637D+01 -0.192326D+01 -0.194673D+01
      3  -0.986043D+00 -0.219724D+01 -0.192326D+01  0.125322D+00  0.305975D+01
               101           102           103           104           105 
      1  -0.194673D+01  0.305975D+01  0.831625D-01  0.109065D+01  0.300891D+00
      2   0.133962D+01 -0.444621D+00  0.109065D+01 -0.846262D+00  0.731113D+00
      3  -0.444621D+00  0.207732D+01  0.300891D+00  0.731113D+00 -0.219367D+00
               106           107           108           109           110 
      1   0.293699D+01 -0.510613D+00  0.244176D+01 -0.566888D+00 -0.803454D+00
      2  -0.510613D+00  0.634055D+00 -0.725383D+00 -0.803454D+00 -0.142421D+01
      3   0.244176D+01 -0.725383D+00  0.160934D+01  0.976142D+00  0.532033D+00
               111           112           113           114           115 
      1   0.976142D+00 -0.924499D+00 -0.253403D+00  0.159462D+00  0.117188D+01
      2   0.532033D+00 -0.253403D+00 -0.450885D+01  0.215208D+01 -0.209286D+00
      3  -0.850879D+00  0.159462D+00  0.215208D+01 -0.219754D+01  0.680472D-02
               116           117           118           119           120 
      1  -0.209286D+00  0.680472D-02  0.357058D+01 -0.245755D+01 -0.117457D+01
      2   0.192581D+01 -0.179778D+01 -0.245755D+01  0.257302D+01  0.564773D+00
      3  -0.179778D+01  0.225970D+01 -0.117457D+01  0.564773D+00  0.105574D+01
               121           122           123           124           125 
      1  -0.371349D+01  0.437174D+01  0.132336D+01 -0.141066D+01  0.116435D+01
      2   0.437174D+01 -0.685308D+01 -0.241796D+01  0.116435D+01 -0.197094D+01
      3   0.132336D+01 -0.241796D+01 -0.167135D+01  0.163265D+01 -0.173860D+01
               126           127           128           129           130 
      1   0.163265D+01  0.324021D+01  0.995945D+00 -0.164810D+01  0.215549D+01
      2  -0.173860D+01  0.995945D+00  0.115261D+01 -0.458947D+00  0.149910D+01
      3  -0.137299D+01 -0.164810D+01 -0.458947D+00  0.152728D+01 -0.841301D+00
               131           132           133           134           135 
      1   0.149910D+01 -0.841301D+00 -0.197337D+01 -0.160955D+00  0.154782D+01
      2   0.203335D+01 -0.143855D+01 -0.160955D+00 -0.119406D+01  0.810956D+00
      3  -0.143855D+01  0.168421D+01  0.154782D+01  0.810956D+00 -0.216053D+01
               136           137           138           139           140 
      1  -0.397249D+01 -0.261072D+01  0.126120D+01 -0.392714D+01 -0.438489D+01
      2  -0.261072D+01 -0.265646D+01  0.616056D+00 -0.438489D+01 -0.635255D+01
      3   0.126120D+01  0.616056D+00 -0.112348D+01  0.137341D+01  0.233906D+01
               141           142           143           144           145 
      1   0.137341D+01  0.150114D+01  0.117515D+01 -0.170543D+01 -0.305803D+01
      2   0.233906D+01  0.117515D+01  0.187033D+01 -0.166930D+01  0.100602D+01
      3  -0.162532D+01 -0.170543D+01 -0.166930D+01  0.137465D+01  0.157859D+01
               146           147           148           149           150 
      1   0.100602D+01  0.157859D+01  0.216622D+01 -0.154133D+01 -0.845540D+00
      2  -0.116135D+01 -0.470279D+00 -0.154133D+01  0.221100D+01  0.149083D+01
      3  -0.470279D+00 -0.145347D+01 -0.845540D+00  0.149083D+01  0.174944D+01
               151           152           153           154           155 
      1   0.194732D+01 -0.183427D+00 -0.150479D+01 -0.106864D+02 -0.160534D+01
      2  -0.183427D+00  0.120820D+01  0.869508D+00 -0.160534D+01 -0.121783D+01
      3  -0.150479D+01  0.869508D+00  0.214153D+01 -0.308597D+01 -0.344882D+00
               156           157           158           159           160 
      1  -0.308597D+01  0.434150D+00 -0.106905D+01  0.404145D+00 -0.297748D+01
      2  -0.344882D+00 -0.106905D+01 -0.710287D+00 -0.728310D+00 -0.403222D+00
      3  -0.209128D+01  0.404145D+00 -0.728310D+00 -0.126352D+00 -0.247897D+01
               161           162           163           164           165 
      1  -0.403222D+00 -0.247897D+01  0.443314D+00 -0.756558D+00 -0.943861D+00
      2  -0.590735D+00 -0.618893D+00 -0.756558D+00  0.133066D+01  0.498745D+00
      3  -0.618893D+00 -0.161217D+01 -0.943861D+00  0.498745D+00  0.769676D+00
               166           167           168           169           170 
      1  -0.931257D+00  0.136793D+00  0.110087D+00 -0.118627D+01 -0.235082D+00
      2   0.136793D+00 -0.458876D+01 -0.217724D+01 -0.235082D+00 -0.191864D+01
      3   0.110087D+00 -0.217724D+01 -0.223148D+01 -0.762930D-01 -0.179815D+01
               171           172           173           174           175 
      1  -0.762930D-01 -0.210537D+01  0.172361D+01  0.219748D+00  0.348663D+01
      2  -0.179815D+01  0.172361D+01 -0.221285D+01  0.420041D+00 -0.138467D+01
      3  -0.225231D+01  0.219748D+00  0.420041D+00 -0.364960D+00  0.136342D+01
               176           177           178           179           180 
      1  -0.138467D+01  0.136342D+01  0.180083D+01  0.517094D+00  0.353972D+00
      2   0.335399D+01 -0.156746D+00  0.517094D+00  0.167057D+00  0.712613D+00
      3  -0.156746D+00  0.117348D+01  0.353972D+00  0.712613D+00 -0.176510D+00
               181           182           183           184           185 
      1   0.172753D+01  0.408739D+00  0.391006D+00 -0.810450D-01 -0.657869D+00
      2   0.408739D+00 -0.593431D+00  0.697320D-01 -0.657869D+00  0.887166D-01
      3   0.391006D+00  0.697320D-01  0.816705D+00  0.405666D-01 -0.772774D+00
               186           187           188           189           190 
      1   0.405666D-01 -0.173567D+01 -0.207188D+00 -0.122480D+01  0.136696D+01
      2  -0.772774D+00 -0.207188D+00 -0.104564D+01  0.635112D+00 -0.147034D-01
      3   0.140575D+00 -0.122480D+01  0.635112D+00 -0.701425D+01 -0.655345D+00
               191           192           193           194           195 
      1  -0.147034D-01 -0.655345D+00 -0.183431D+01  0.984389D+00 -0.111878D+00
      2   0.213506D+01 -0.105118D+01  0.984389D+00 -0.570136D+01  0.798399D+00
      3  -0.105118D+01  0.722636D+00 -0.111878D+00  0.798399D+00 -0.100226D+01
               196           197           198           199           200 
      1  -0.983682D+00 -0.987068D+00  0.706768D+00 -0.319329D+00  0.320012D+00
      2  -0.987068D+00 -0.743312D+00 -0.154755D+00  0.320012D+00  0.784939D+00
      3   0.706768D+00 -0.154755D+00  0.289635D+00  0.398703D+00 -0.430092D+00
               201           202           203           204           205 
      1   0.398703D+00  0.691429D+00  0.124526D+01 -0.539713D+00  0.140160D+01
      2  -0.430092D+00  0.124526D+01  0.324352D+00  0.248367D-01  0.424862D+00
      3   0.349321D+00 -0.539713D+00  0.248367D-01  0.670916D+00 -0.274194D+00
               206           207           208           209           210 
      1   0.424862D+00 -0.274194D+00 -0.137930D+01 -0.986567D-01  0.602421D+00
      2   0.131680D+01 -0.129026D+01 -0.986567D-01 -0.236416D+01 -0.110801D+01
      3  -0.129026D+01  0.693416D+01  0.602421D+00 -0.110801D+01 -0.765168D+00
               211           212           213           214           215 
      1  -0.185760D+01 -0.114284D+01 -0.168558D+00  0.903828D+00 -0.995975D+00
      2  -0.114284D+01 -0.549869D+01 -0.738582D+00 -0.995975D+00  0.844338D+00
      3  -0.168558D+00 -0.738582D+00 -0.967678D+00 -0.717008D+00 -0.118991D+00
               216           217           218           219           220 
      1  -0.717008D+00  0.368440D+00  0.215128D+00 -0.442135D+00  0.563219D+00
      2  -0.118991D+00  0.215128D+00 -0.792704D+00 -0.412425D+00 -0.126875D+01
      3  -0.287008D+00 -0.442135D+00 -0.412425D+00 -0.321131D+00 -0.520634D+00
               221           222           223           224           225 
      1  -0.126875D+01 -0.520634D+00 -0.136653D+01  0.428617D+00  0.214906D+00
      2   0.470151D+00  0.173679D-01  0.428617D+00 -0.135860D+01 -0.130972D+01
      3   0.173679D-01  0.675727D+00  0.214906D+00 -0.130972D+01 -0.693070D+01
               226           227           228           229           230 
      1   0.238366D+01  0.178834D+01 -0.154643D+00  0.349128D+01  0.128547D+01
      2   0.178834D+01  0.219585D+01  0.439248D+00  0.128547D+01  0.320029D+01
      3  -0.154643D+00  0.439248D+00  0.405775D+00  0.137762D+01  0.630527D-01
               231           232           233           234           235 
      1   0.137762D+01 -0.174984D+01  0.589678D+00 -0.324509D+00 -0.167856D+01
      2   0.630527D-01  0.589678D+00 -0.226689D+00  0.729718D+00  0.536287D+00
      3   0.116048D+01 -0.324509D+00  0.729718D+00  0.171984D+00 -0.379629D+00
               236           237           238           239           240 
      1   0.536287D+00 -0.379629D+00  0.459668D-01  0.641487D+00  0.867210D-01
      2   0.554915D+00  0.119487D+00  0.641487D+00  0.724687D-02  0.765434D+00
      3   0.119487D+00 -0.809971D+00  0.867210D-01  0.765434D+00  0.177686D+00
               241           242           243           244           245 
      1   0.171491D+01 -0.237508D+00  0.124920D+01  0.103480D+01 -0.436381D+00
      2  -0.237508D+00  0.106568D+01  0.583356D+00 -0.436381D+00  0.739074D+00
      3   0.124920D+01  0.583356D+00  0.701155D+01  0.251628D+01  0.270294D+00
               246           247           248           249           250 
      1   0.251628D+01 -0.677446D+00  0.159781D+01  0.174392D+00  0.320595D+01
      2   0.270294D+00  0.159781D+01 -0.359599D+01 -0.437802D+01  0.687666D+00
      3   0.154774D+01  0.174392D+00 -0.437802D+01 -0.104032D+01  0.211343D+01
               251           252           253           254           255 
      1   0.687666D+00  0.211343D+01  0.624880D+00  0.135473D+01 -0.969616D+00
      2  -0.614772D+01 -0.203514D+01  0.135473D+01 -0.169750D+01 -0.104572D+01
      3  -0.203514D+01 -0.112667D+00 -0.969616D+00 -0.104572D+01 -0.141298D+01
               256           257           258           259           260 
      1   0.224009D+01 -0.404130D+01 -0.159612D+01 -0.316670D+00 -0.111033D+01
      2  -0.404130D+01  0.817323D+01  0.523475D+01 -0.111033D+01  0.366318D+01
      3  -0.159612D+01  0.523475D+01  0.143533D+01 -0.214911D+01  0.120443D+01
               261           262           263           264           265 
      1  -0.214911D+01  0.528620D+01  0.583860D+00 -0.247013D+01 -0.743140D-01
      2   0.120443D+01  0.583860D+00  0.230485D+01 -0.498960D+00  0.885345D-01
      3  -0.489582D+00 -0.247013D+01 -0.498960D+00  0.191902D+01  0.489666D+00
               266           267           268           269           270 
      1   0.885345D-01  0.489666D+00 -0.168326D+01  0.290277D+00  0.110099D+01
      2  -0.125626D+01  0.750893D+00  0.290277D+00  0.610584D+00 -0.949710D-01
      3   0.750893D+00 -0.410746D+00  0.110099D+01 -0.949710D-01 -0.173964D+01
               271           272           273           274           275 
      1  -0.479240D+00 -0.555179D+00 -0.716258D+00  0.921007D-01 -0.937430D+00
      2  -0.555179D+00 -0.236869D+01  0.110648D+01 -0.937430D+00 -0.282970D+00
      3  -0.716258D+00  0.110648D+01 -0.200430D+01  0.469644D+00 -0.963165D-01
               276           277           278           279           280 
      1   0.469644D+00 -0.103529D+01 -0.592062D-02 -0.567272D+00  0.420573D+01
      2  -0.963165D-01 -0.592062D-02 -0.140491D+01  0.117236D+01  0.115849D+01
      3   0.453189D+00 -0.567272D+00  0.117236D+01 -0.553213D+01  0.168370D+01
               281           282           283           284           285 
      1   0.115849D+01  0.168370D+01  0.531822D+00  0.124803D+01  0.110102D+00
      2   0.212616D+01  0.391699D+00  0.124803D+01  0.968158D+00  0.369336D+00
      3   0.391699D+00  0.149130D+01  0.110102D+00  0.369336D+00  0.278937D+00
               286           287           288           289           290 
      1   0.270622D+01  0.464049D+00  0.183516D+01  0.972935D+00  0.174722D+01
      2   0.464049D+00  0.935663D+00  0.958279D+00  0.174722D+01  0.123962D+01
      3   0.183516D+01  0.958279D+00  0.226907D+01 -0.397323D+00 -0.557863D+00
               291           292           293           294           295 
      1  -0.397323D+00  0.150067D+01  0.164268D+01 -0.609831D+00 -0.415775D+00
      2  -0.557863D+00  0.164268D+01  0.890000D+01 -0.292831D+01 -0.123113D+01
      3   0.498753D+00 -0.609831D+00 -0.292831D+01  0.200619D+01  0.101170D+01
               296           297           298           299           300 
      1  -0.123113D+01  0.101170D+01 -0.758418D+00  0.167199D+01  0.360008D+00
      2  -0.487521D+01  0.314562D+01  0.167199D+01 -0.996900D+00 -0.445387D+00
      3   0.314562D+01 -0.260530D+01  0.360008D+00 -0.445387D+00 -0.410406D+00
               301           302           303           304           305 
      1   0.140093D+01 -0.137940D+01 -0.494203D+00  0.316265D+00 -0.102661D+01
      2  -0.137940D+01  0.908398D+01  0.297259D+01 -0.102661D+01  0.499722D+01
      3  -0.494203D+00  0.297259D+01  0.202055D+01 -0.868906D+00  0.319119D+01
               306           307           308           309           310 
      1  -0.868906D+00 -0.408947D+01  0.120664D+01 -0.166755D+01  0.615745D+00
      2   0.319119D+01  0.120664D+01 -0.216098D+01  0.469394D+00 -0.126299D+01
      3   0.260275D+01 -0.166755D+01  0.469394D+00 -0.148524D+01  0.173968D+00
               311           312           313           314           315 
      1  -0.126299D+01  0.173968D+00 -0.266297D+01  0.554405D+00 -0.179472D+01
      2   0.118223D+01 -0.382158D+00  0.554405D+00 -0.961471D+00  0.104804D+01
      3  -0.382158D+00  0.344057D+00 -0.179472D+01  0.104804D+01 -0.227437D+01
               316           317           318           319           320 
      1  -0.520386D+01  0.725961D+00  0.245589D+01  0.174483D+00 -0.159580D+00
      2   0.725961D+00 -0.240579D+01 -0.649404D+00 -0.159580D+00 -0.110615D+01
      3   0.245589D+01 -0.649404D+00 -0.193419D+01  0.331556D+00 -0.742309D+00
               321           322           323           324           325 
      1   0.331556D+00  0.171151D+01  0.171362D+00 -0.111291D+01  0.443734D+00
      2  -0.742309D+00  0.171362D+00 -0.623475D+00 -0.364127D-01 -0.423094D+00
      3  -0.315479D+00 -0.111291D+01 -0.364127D-01  0.174708D+01  0.793885D+00
               326           327           328           329           330 
      1  -0.423094D+00  0.793885D+00  0.157928D+00  0.930222D+00  0.436352D+00
      2   0.237969D+01  0.106487D+01  0.930222D+00 -0.458465D+00  0.375082D-01
      3   0.106487D+01  0.201452D+01  0.436352D+00  0.375082D-01  0.367384D+00
               331           332           333 
      1   0.104097D+01  0.121373D-01  0.624516D+00
      2   0.121373D-01  0.139717D+01  0.113594D+01
      3   0.624516D+00  0.113594D+01  0.553076D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.711295D+00  0.257704D+01 -0.264273D+01  0.411007D+01  0.592434D+01
      2   0.490624D+00 -0.119216D+01  0.917914D+01 -0.210096D+01 -0.126371D+02
      3  -0.444547D+01 -0.108510D+02 -0.175182D+01 -0.792499D+01  0.510223D+01
                 6             7             8             9            10 
      1  -0.185146D+01 -0.104163D+01 -0.812489D-01 -0.206639D+01 -0.494248D+01
      2  -0.411920D+01  0.289055D+01 -0.171275D+00  0.167754D+01  0.115131D+02
      3   0.865347D+01 -0.369093D+00  0.969917D+01  0.434464D+01  0.600658D+01
                11            12            13            14            15 
      1   0.414859D+01  0.157517D+00  0.401438D+01 -0.116662D+01 -0.753453D+01
      2  -0.240232D+01  0.355253D+01 -0.427929D+01  0.231689D+00  0.605944D+01
      3   0.827541D+01  0.674406D+01  0.106920D+02 -0.575760D+01 -0.599869D+01
                16            17            18            19            20 
      1  -0.121937D+01 -0.197529D+01  0.345715D+00 -0.900443D+00 -0.381956D+00
      2   0.151495D+01  0.228447D+01 -0.220484D+01 -0.187165D+02 -0.129327D+02
      3   0.817855D+01 -0.586333D+01 -0.411483D+01 -0.231467D+02 -0.202439D+02
                21            22            23            24            25 
      1   0.794346D+01  0.905623D+01  0.261060D+02 -0.586440D+01  0.173215D+02
      2   0.399066D+01 -0.477812D+01  0.283101D+01 -0.490040D+01 -0.126899D+02
      3   0.972891D+01  0.555508D+01  0.234374D+02 -0.739312D+01  0.501657D+01
                26            27            28            29            30 
      1   0.217673D+02 -0.252740D+02 -0.322838D-01 -0.350112D+01  0.294723D-01
      2  -0.125367D+02  0.131169D+02 -0.358228D+01  0.154207D+00 -0.972214D+01
      3  -0.363838D+00 -0.158259D+01 -0.162944D+00  0.134025D+02 -0.470540D-01
                31            32            33            34            35 
      1  -0.141716D+01  0.851800D-01  0.112809D+02  0.344898D-01 -0.157982D+02
      2   0.868022D-01  0.564148D+00 -0.611716D-02  0.177825D+02 -0.123858D-01
      3  -0.170990D+02  0.194889D-01  0.109210D+01 -0.913661D-01  0.868121D+00
                36            37            38            39            40 
      1   0.875842D-01  0.355963D+00 -0.867344D+00 -0.791644D+01  0.813372D+01
      2  -0.147275D+00 -0.180161D+02  0.138762D+02  0.455990D+01  0.540688D+01
      3  -0.291755D-01  0.224818D+02 -0.222102D+02 -0.999885D+01  0.346073D+01
                41            42            43            44            45 
      1  -0.263246D+02 -0.525873D+01 -0.168163D+02  0.230981D+02  0.257982D+02
      2   0.306168D+01  0.490982D+01 -0.113875D+02  0.120689D+02  0.119715D+02
      3  -0.225978D+02 -0.688376D+01 -0.501120D+01 -0.120332D+00  0.155421D+01
                46            47            48            49            50 
      1   0.583957D+01  0.397364D+01 -0.342678D+00  0.400356D+01  0.828211D+00
      2   0.116092D+02  0.164599D+01  0.331570D+01  0.359583D+01 -0.548812D-01
      3  -0.515825D+01  0.864748D+01 -0.696117D+01  0.111827D+02  0.496495D+01
                51            52            53            54            55 
      1  -0.779507D+01  0.119303D+01 -0.218117D+01 -0.410792D+00 -0.398820D+00
      2  -0.587237D+01  0.139310D+01 -0.234112D+01 -0.212937D+01  0.661078D+00
      3  -0.571858D+01 -0.845983D+01 -0.549750D+01  0.420326D+01  0.365333D+01
                56            57            58            59            60 
      1   0.236464D+01  0.298158D+01  0.396086D+01 -0.680051D+01 -0.180465D+01
      2   0.608054D+00  0.921684D+01  0.141137D+01 -0.125100D+02  0.379852D+01
      3  -0.111272D+02  0.202541D+01 -0.835308D+01 -0.415121D+01  0.856515D+01
                61            62            63            64            65 
      1   0.116811D+01 -0.109729D+00  0.211303D+01 -0.364040D+01 -0.112425D+02
      2   0.288616D+01  0.383675D-01  0.158084D+01  0.263412D+02 -0.180064D+01
      3   0.779029D+00  0.960876D+01 -0.434607D+01  0.569191D+01  0.107601D+02
                66            67            68            69            70 
      1  -0.278176D+01 -0.228891D+02  0.385365D+01 -0.107052D+02 -0.849110D+00
      2   0.219574D+01  0.406780D+01  0.509496D+01  0.467251D+01 -0.319644D+02
      3   0.156813D+01  0.356169D+02 -0.445649D+01  0.123722D+02 -0.251880D+01
                71            72            73            74            75 
      1   0.124291D+01  0.113895D+01  0.318007D+01 -0.114790D+02  0.235310D+01
      2   0.382919D+01 -0.291188D+02  0.261799D+02  0.140029D+01  0.188486D+01
      3   0.530839D+01 -0.122114D+01 -0.350736D+01  0.111917D+02 -0.980652D+00
                76            77            78            79            80 
      1  -0.233536D+02 -0.213989D+01 -0.110262D+02 -0.498026D+00  0.108567D+01
      2  -0.396406D+01  0.533866D+01 -0.427521D+01 -0.320493D+02 -0.250855D+01
      3   0.359669D+02  0.244015D+01  0.124222D+02  0.277174D+01  0.519613D+01
                81            82            83            84            85 
      1  -0.240072D+01 -0.328012D+01  0.437342D+01  0.191066D+01  0.628935D+01
      2  -0.290389D+02 -0.176784D+02 -0.173856D+02  0.143771D+02 -0.588118D+01
      3   0.123828D+01 -0.221264D+02 -0.250848D+02  0.156942D+02 -0.599996D-01
                86            87            88            89            90 
      1   0.222795D+02  0.275361D+00  0.106746D+02  0.270730D+02 -0.167716D+02
      2   0.199199D+01 -0.605192D+01 -0.465199D+01 -0.180706D+02  0.144199D+02
      3   0.193842D+02 -0.493020D+01  0.708515D+01 -0.389343D+01  0.437106D+01
                91            92            93            94            95 
      1   0.932461D+01  0.337184D+01  0.621315D+01  0.413976D+01 -0.122752D+02
      2  -0.231869D+01  0.797422D+00 -0.526714D-01 -0.246216D+00  0.238786D+01
      3  -0.545999D+01 -0.132315D+01 -0.750801D+01  0.367871D+01 -0.100441D+01
                96            97            98            99           100 
      1  -0.433900D+01  0.451778D+01 -0.374065D+01  0.276584D+01  0.170454D+01
      2  -0.465443D+00 -0.335150D+01  0.497108D+00 -0.508503D+00 -0.280170D+01
      3  -0.675841D+01 -0.119441D+02 -0.786295D+01 -0.527424D+01 -0.934922D+01
               101           102           103           104           105 
      1   0.180521D+01  0.315201D+01 -0.309955D+00  0.116523D+01 -0.110976D+01
      2   0.144826D+01  0.493673D+01 -0.201277D+01  0.182647D+01 -0.149974D+01
      3  -0.370686D+01 -0.375920D+01 -0.741058D+00 -0.492593D+00 -0.170510D+01
               106           107           108           109           110 
      1   0.211777D+01  0.106606D+01  0.139456D+01  0.135293D+01 -0.140920D+01
      2   0.203089D+01 -0.532137D+00  0.256187D+01  0.520912D+01  0.228743D+01
      3  -0.155955D+01 -0.272418D+01 -0.112582D+01  0.546670D+01  0.561449D+01
               111           112           113           114           115 
      1  -0.191678D+01 -0.182928D+00 -0.143090D+01 -0.302925D+01 -0.287478D+00
      2  -0.350006D+01  0.139209D+01  0.667084D+01 -0.635975D+01 -0.315704D+01
      3  -0.354174D+01  0.461348D+01  0.131773D+02 -0.663701D+01 -0.179272D+01
               116           117           118           119           120 
      1   0.184809D-01  0.226467D+01 -0.687277D+00 -0.211823D+00  0.203505D+01
      2  -0.502161D+01  0.608751D+01 -0.120483D+01  0.938942D+00  0.372123D+01
      3  -0.536417D+01  0.570622D+01  0.655409D+00 -0.405674D+01 -0.221320D+00
               121           122           123           124           125 
      1  -0.238645D+01  0.262042D+01 -0.255753D+01  0.110633D+01 -0.226658D+00
      2  -0.244450D+01 -0.110988D+01 -0.382538D+01  0.750752D+00 -0.271404D+01
      3  -0.104177D+01  0.978903D+01  0.403440D+01  0.146959D+01  0.269327D+01
               126           127           128           129           130 
      1  -0.138332D+01 -0.422567D+01 -0.177159D+01  0.265235D+01 -0.293091D+01
      2  -0.209291D+01 -0.193891D+01  0.213452D+00  0.359722D+01  0.757059D+00
      3   0.115370D+01 -0.754785D+01 -0.631130D+01  0.420289D+01 -0.705225D+01
               131           132           133           134           135 
      1  -0.584602D+01  0.377208D+01  0.268312D+01  0.447244D+01 -0.427293D+01
      2  -0.340352D+01  0.551616D+01  0.130398D+01  0.272606D+01 -0.500235D+01
      3  -0.113729D+02  0.619983D+01  0.393489D+01  0.454951D+01 -0.577465D+01
               136           137           138           139           140 
      1   0.495008D+00 -0.423639D+00 -0.196900D+01 -0.242764D+01 -0.253355D+01
      2  -0.112886D+01 -0.896464D+00  0.396214D+01  0.255141D+01 -0.107869D+01
      3  -0.869215D+00 -0.446668D+01  0.385280D+00 -0.146162D+01 -0.954660D+01
               141           142           143           144           145 
      1  -0.229565D+01 -0.109996D+01 -0.813694D-01  0.128849D+01  0.390910D+01
      2   0.376453D+01  0.948907D+00  0.272977D+01 -0.215762D+01 -0.211704D+01
      3   0.404519D+01 -0.133210D+01  0.280702D+01 -0.117399D+01  0.692392D+01
               146           147           148           149           150 
      1  -0.172699D+01 -0.234548D+01 -0.285377D+01  0.592945D+01  0.361811D+01
      2  -0.154159D+00  0.348952D+01 -0.713867D+00 -0.363598D+01 -0.583435D+01
      3  -0.617062D+01 -0.394935D+01 -0.686212D+01  0.119477D+02  0.635858D+01
               151           152           153           154           155 
      1  -0.240973D+01  0.445294D+01  0.402085D+01 -0.177775D+01  0.177881D+01
      2   0.129655D+01 -0.297614D+01 -0.511013D+01 -0.269040D+01 -0.135086D+01
      3  -0.369714D+01  0.469619D+01  0.574976D+01  0.920280D+01 -0.406233D+01
               156           157           158           159           160 
      1  -0.299644D+01 -0.150197D+00 -0.110769D+01 -0.911224D+00 -0.201664D+01
      2   0.514748D+01  0.215222D+01  0.180615D+01  0.132677D+01  0.219863D+01
      3   0.372744D+01 -0.117622D+01  0.629281D+00 -0.187317D+01  0.148586D+01
               161           162           163           164           165 
      1   0.116811D+01 -0.128994D+01 -0.118144D+01 -0.139723D+01  0.165046D+01
      2   0.411850D+00  0.262983D+01  0.508186D+01 -0.222870D+01 -0.333548D+01
      3  -0.278290D+01  0.114418D+01 -0.501730D+01  0.537767D+01  0.331438D+01
               166           167           168           169           170 
      1  -0.122931D+00  0.178236D+01 -0.283674D+01  0.175458D+00  0.244619D+00
      2  -0.134218D+01  0.677313D+01  0.663220D+01 -0.296838D+01  0.516784D+01
      3   0.431250D+01 -0.136640D+02 -0.679828D+01  0.156746D+01 -0.549518D+01
               171           172           173           174           175 
      1  -0.197530D+01 -0.183507D+01  0.258240D+01 -0.161349D+00  0.499892D+01
      2   0.617135D+01 -0.929566D+00  0.170057D+01  0.218872D+01  0.621538D+01
      3  -0.574281D+01  0.248935D+01 -0.444894D+01  0.307127D+00 -0.496116D+01
               176           177           178           179           180 
      1  -0.707526D+01  0.596857D+00  0.231989D+01 -0.641459D+00 -0.998830D-02
      2  -0.161917D+01  0.597877D+00  0.395849D+01 -0.131386D+01  0.900879D+00
      3   0.999209D+01 -0.188279D+01 -0.191042D+01  0.226409D+01  0.482298D-01
               181           182           183           184           185 
      1  -0.211223D+01 -0.108910D+01 -0.110499D+01 -0.412346D+00 -0.544334D+00
      2  -0.214905D+01  0.432270D+00 -0.465645D+01 -0.794525D+00  0.208685D+01
      3   0.160572D+01  0.102144D+00  0.636222D+00  0.124961D+01  0.384442D+00
               186           187           188           189           190 
      1   0.565572D+00  0.831601D+00  0.259213D+01 -0.709387D+00  0.129375D+01
      2  -0.387526D+00  0.745849D+00 -0.209929D+01  0.158529D+02 -0.256747D+01
      3  -0.154461D+01 -0.104646D+01 -0.220583D+01  0.169043D+01 -0.248537D+01
               191           192           193           194           195 
      1   0.597768D+01 -0.157092D+01  0.124465D+01 -0.700782D+01 -0.107310D+01
      2   0.220561D+01  0.473489D-01  0.276291D+01 -0.336414D+01  0.142691D+01
      3   0.586987D+01 -0.222545D+01  0.573423D+01 -0.907082D+01  0.153394D+01
               196           197           198           199           200 
      1  -0.856994D+00 -0.412532D+01  0.206832D+00 -0.393231D+00 -0.246245D+01
      2  -0.541822D+00  0.322576D+00 -0.423051D+00 -0.153011D+01  0.771759D+00
      3   0.306896D+00 -0.244803D+01 -0.252205D+00 -0.126405D+01 -0.154988D+01
               201           202           203           204           205 
      1   0.196615D+01 -0.217843D+01 -0.130213D+01  0.394709D+01 -0.524746D+00
      2  -0.122387D+01 -0.235366D+00 -0.391186D+00 -0.111343D+01 -0.270061D+01
      3  -0.923780D+00 -0.312361D+00 -0.820404D+00  0.146124D+01 -0.245172D+01
               206           207           208           209           210 
      1  -0.116916D+01  0.128928D+02 -0.107077D+01  0.617143D+01  0.148576D+01
      2   0.145848D+01 -0.917221D+01 -0.256380D+01 -0.246002D+01 -0.605192D-01
      3   0.195580D+00 -0.138517D+01  0.281626D+01  0.607121D+01  0.224700D+01
               211           212           213           214           215 
      1   0.148369D+01  0.650821D+01 -0.122534D+01  0.638885D+00 -0.418808D+01
      2  -0.282854D+01 -0.341311D+01 -0.136500D+01 -0.566863D+00 -0.107456D+00
      3   0.598332D+01  0.853223D+01  0.141232D+01 -0.443172D+00 -0.244045D+01
               216           217           218           219           220 
      1  -0.231687D+00  0.119854D+00 -0.244561D+01 -0.183969D+01 -0.210238D+01
      2  -0.408954D+00 -0.155553D+01 -0.619647D+00 -0.110133D+01  0.376199D+00
      3   0.257697D+00  0.117496D+01 -0.154942D+01  0.100095D+01 -0.302623D+00
               221           222           223           224           225 
      1   0.146703D+01  0.404928D+01  0.356920D+00 -0.127732D+01 -0.132762D+02
      2  -0.434326D+00  0.973162D+00 -0.278121D+01 -0.129754D+01 -0.859585D+01
      3   0.871562D+00  0.140505D+01  0.246387D+01  0.905349D-01  0.139853D+01
               226           227           228           229           230 
      1   0.213236D+01  0.268561D+01  0.289098D+00  0.490049D+01  0.682488D+01
      2  -0.134663D+01 -0.184707D+01  0.215195D+01 -0.640281D+01 -0.159165D+01
      3  -0.293847D+01 -0.471785D+01 -0.399117D+00 -0.522157D+01 -0.976440D+01
               231           232           233           234           235 
      1   0.505071D+00 -0.216077D+01 -0.516570D+00  0.608066D-01  0.197393D+01
      2  -0.721345D+00  0.409825D+01  0.116013D+01  0.896406D+00 -0.222794D+01
      3  -0.180680D+01  0.199424D+01  0.221316D+01 -0.585213D-01 -0.156895D+01
               236           237           238           239           240 
      1  -0.116313D+01  0.926466D+00 -0.434909D+00  0.697005D+00  0.545548D+00
      2  -0.209497D+00 -0.468924D+01  0.982237D+00  0.203787D+01  0.564235D+00
      3   0.161494D+00 -0.716342D+00  0.129132D+01 -0.448666D+00 -0.151215D+01
               241           242           243           244           245 
      1  -0.687037D+00  0.270683D+01  0.139174D+01 -0.906031D+01  0.438645D+01
      2   0.869457D+00  0.195537D+01  0.157998D+02 -0.194788D+01 -0.735071D+00
      3   0.951979D+00 -0.224718D+01 -0.168850D+01  0.558904D+01 -0.152000D+01
               246           247           248           249           250 
      1  -0.642868D+01  0.511528D+01  0.118777D+02 -0.411216D+01 -0.482755D+01
      2   0.247714D+00  0.230387D+00  0.188253D+01  0.618182D+00 -0.317126D+01
      3   0.718213D+01  0.355867D+01  0.954819D+00 -0.710895D+01  0.115860D+02
               251           252           253           254           255 
      1  -0.357050D+01 -0.285902D+01  0.297599D+01  0.401181D+01 -0.124793D+01
      2  -0.192410D+00 -0.412812D+00 -0.167005D+02  0.180064D+02  0.146469D+02
      3  -0.847079D+01  0.526704D+01  0.208569D+02 -0.268715D+02 -0.158613D+02
               256           257           258           259           260 
      1   0.541223D+01 -0.226183D+02  0.607172D+00 -0.960306D+01  0.282405D+02
      2   0.645435D+01  0.195590D+01  0.540194D+01 -0.339581D+01  0.169687D+02
      3  -0.186621D+01 -0.182697D+02 -0.421184D+01 -0.724474D+01 -0.359258D+01
               261           262           263           264           265 
      1   0.173574D+02  0.525845D+01 -0.249884D+01 -0.401410D+01 -0.186548D+01
      2   0.136118D+02  0.729521D+01  0.961900D+00 -0.162432D+01 -0.300591D+01
      3  -0.433857D+01  0.125577D+02 -0.199354D+01 -0.577476D+01 -0.405811D+01
               266           267           268           269           270 
      1   0.222188D+01  0.184271D+00 -0.307466D+01  0.168828D+01  0.243902D+01
      2  -0.184971D+01  0.116939D+01 -0.608117D+00  0.210843D+00  0.577180D+00
      3   0.416780D+00  0.246484D+01 -0.202739D+01  0.381273D+00  0.300418D+01
               271           272           273           274           275 
      1   0.618740D+00 -0.533182D+00  0.448192D+01 -0.998501D+00 -0.348505D+00
      2  -0.674326D+00  0.442037D+01 -0.553942D+01  0.191698D+01  0.192244D+01
      3  -0.138392D+00  0.325722D+01 -0.358024D+01  0.240576D+01  0.189238D+01
               276           277           278           279           280 
      1  -0.901228D-01  0.758222D+00  0.339892D+00  0.908713D+01 -0.684852D+01
      2  -0.860844D+00 -0.256301D+01  0.218221D+01 -0.784301D+01  0.258161D+01
      3  -0.277410D+00 -0.118961D+01  0.214201D+01 -0.238716D+01  0.141177D+02
               281           282           283           284           285 
      1  -0.116151D+01 -0.550856D+01 -0.376136D+00 -0.127504D+01 -0.910645D+00
      2   0.539434D+00  0.359442D+01  0.122962D+00  0.715208D+00  0.257786D-01
      3  -0.979675D+00  0.601877D+01 -0.125476D+00  0.451147D+01 -0.425463D+00
               286           287           288           289           290 
      1  -0.657477D+01 -0.103441D+01 -0.894032D+01 -0.410643D-02  0.207707D+00
      2   0.139743D+01  0.137920D+01  0.344886D+01  0.257827D+00  0.408561D+00
      3   0.977990D+01 -0.567390D+00  0.527206D+01  0.179535D+01  0.344125D+01
               291           292           293           294           295 
      1  -0.162671D+01  0.204206D+01  0.466280D+01 -0.730499D+01 -0.155163D+01
      2   0.775850D+00  0.247088D+00 -0.168861D+01  0.166373D+01 -0.846107D+00
      3  -0.924067D+00  0.525840D+01 -0.222234D+01 -0.935400D-01 -0.900735D+00
               296           297           298           299           300 
      1  -0.234894D+01  0.703242D+01  0.602089D-01 -0.366068D-01  0.133538D+01
      2   0.158907D+01 -0.179126D+01  0.221901D+00 -0.505799D+00  0.630833D+00
      3   0.347586D+01  0.253059D+00 -0.142001D+01  0.362066D+01  0.966416D+00
               301           302           303           304           305 
      1   0.180353D+01 -0.478143D+01 -0.739662D+01  0.139346D+01 -0.244980D+01
      2  -0.410715D+00 -0.143625D+01 -0.136488D+01 -0.984343D+00 -0.144450D+01
      3   0.540826D+01  0.185738D+01 -0.123451D+00  0.106239D+01  0.348669D+01
               306           307           308           309           310 
      1  -0.707831D+01  0.688671D+01 -0.155007D+01  0.563120D+01 -0.697774D+00
      2  -0.147820D+01  0.225094D+01 -0.581780D+00  0.336157D+01 -0.172734D+00
      3  -0.233892D+00 -0.141530D+02 -0.432068D+00 -0.601583D+01  0.404133D+00
               311           312           313           314           315 
      1   0.128215D+01 -0.118343D+01  0.657269D+01 -0.146155D+01  0.910009D+01
      2   0.681172D+00 -0.114669D+00  0.105275D+01 -0.137538D+01  0.306833D+01
      3  -0.440016D+01 -0.866912D-01 -0.977367D+01 -0.247896D-01 -0.526846D+01
               316           317           318           319           320 
      1  -0.507064D+01 -0.238134D+01  0.392372D+01 -0.155142D+01 -0.206450D+01
      2   0.757332D+01 -0.125866D+01 -0.181998D+01  0.264418D+01 -0.182650D+01
      3  -0.126967D+02 -0.138880D+01  0.583275D+01 -0.339860D+01 -0.104495D+00
               321           322           323           324           325 
      1  -0.748859D-01  0.310064D+01  0.151800D+01 -0.241946D+01 -0.731500D+00
      2  -0.106536D+01 -0.775324D+00 -0.212259D+00  0.694428D+00 -0.904505D+00
      3   0.214549D+01  0.204308D+01  0.233543D+00 -0.302849D+01  0.375227D+00
               326           327           328           329           330 
      1  -0.682016D+00 -0.470425D+01 -0.104269D+01  0.526742D+00  0.173034D+00
      2  -0.425631D+01 -0.527627D+01 -0.176038D+01  0.218412D+01  0.108178D+01
      3   0.315773D+01  0.355688D+01  0.231393D+01 -0.216583D+01 -0.431727D+00
               331           332           333 
      1  -0.870074D+00  0.317833D+00 -0.941564D+01
      2  -0.263311D+01 -0.204741D+01 -0.739606D+01
      3   0.128663D+01  0.205557D+01  0.236977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.413786D+02 -0.695554D+01 -0.237269D+02 -0.217433D+01  0.191422D+02
      2   0.266830D+02  0.899150D+01  0.136329D+02  0.567431D+01 -0.104744D+02
      3   0.146956D+02 -0.203596D+01  0.100940D+02 -0.349997D+01 -0.866772D+01
      4  -0.145801D+02  0.961204D+01 -0.718054D+01  0.118461D+02  0.509042D+01
      5  -0.264365D+02 -0.117688D+01 -0.566899D+01  0.439075D+01 -0.846383D+01
      6  -0.698903D+01  0.619184D+01  0.535460D+00  0.438261D+01 -0.996132D+01
                 6             7             8             9            10 
      1   0.859171D+01 -0.200878D+02  0.588030D+01 -0.425454D+00  0.102983D+02
      2  -0.103887D+02  0.118519D+02 -0.793800D+01 -0.354422D+01 -0.691149D+01
      3   0.179698D+01  0.823595D+01  0.205771D+01  0.396968D+01 -0.338682D+01
      4  -0.806209D+01 -0.495486D+01 -0.682713D+01 -0.422862D+01  0.315308D+00
      5  -0.487946D+01 -0.685641D+01 -0.391803D+01  0.461504D+01  0.108753D+02
      6  -0.100826D+02  0.225181D+00 -0.770635D+01  0.760148D+00  0.776145D+01
                11            12            13            14            15 
      1   0.368977D+01  0.130381D+02  0.233197D+01 -0.164004D+02 -0.395312D+01
      2  -0.120624D+02 -0.533677D+01 -0.127882D+02  0.357644D+01  0.109901D+02
      3   0.837261D+01 -0.770131D+01  0.104562D+02  0.128239D+02 -0.703702D+01
      4  -0.218913D+02  0.619829D+01 -0.273102D+02 -0.234351D+02  0.187751D+02
      5  -0.488782D+00 -0.940015D+01  0.107617D+01  0.217719D+02  0.415763D+01
      6   0.477697D+01 -0.104928D+01  0.103713D+02  0.124083D+02 -0.360068D+01
                16            17            18            19            20 
      1   0.995158D+01 -0.421009D+01 -0.545563D+01 -0.371921D+00  0.159288D+01
      2  -0.333735D+01  0.979440D+01  0.248564D+01 -0.385947D+01  0.301818D+01
      3  -0.661423D+01 -0.558431D+01  0.296998D+01  0.423139D+01 -0.461106D+01
      4   0.582269D+01  0.152942D+02  0.765085D+00  0.481390D+01  0.134419D+02
      5  -0.808805D+01  0.241782D+01 -0.415487D+01 -0.336687D+01 -0.230355D+01
      6  -0.190940D+01 -0.454380D+01 -0.385893D+01 -0.793979D+01 -0.659002D+01
                21            22            23            24            25 
      1  -0.639122D+01 -0.169944D+01  0.131469D+02 -0.198905D-01 -0.152590D+01
      2   0.434396D+01  0.447815D+01 -0.161027D+02  0.199068D+01  0.182933D+01
      3   0.204725D+01 -0.277871D+01  0.295575D+01 -0.197079D+01 -0.303431D+00
      4  -0.858494D+01  0.897362D+01  0.865010D+01 -0.536606D+01 -0.522263D+01
      5   0.590169D+01 -0.101826D+01 -0.719078D+01  0.268913D+01  0.555981D+01
      6   0.247972D+01 -0.708373D+01 -0.132239D+01  0.650211D+01  0.107692D+01
                26            27            28            29            30 
      1  -0.129256D+01  0.950014D+01 -0.117616D+02  0.772288D-01  0.479917D+01
      2   0.131234D+01  0.445793D+01  0.340928D+01 -0.282408D-01 -0.578999D+01
      3  -0.197815D-01 -0.139581D+02  0.835229D+01 -0.489879D-01  0.990815D+00
      4  -0.273971D+01  0.170915D+01  0.137164D+00 -0.693634D+01 -0.388140D+00
      5   0.541271D+00  0.522175D+01  0.302994D+01 -0.265673D+00 -0.411846D+01
      6   0.446106D+01  0.493998D+01 -0.239339D+00 -0.336201D+01  0.191083D-01
                31            32            33            34            35 
      1   0.183197D-01  0.381323D+01 -0.371562D+00  0.776189D+01 -0.544260D+00
      2   0.866285D-03 -0.111733D+02  0.412372D+00 -0.853656D+01  0.557433D+00
      3  -0.191860D-01  0.736009D+01 -0.408100D-01  0.774670D+00 -0.131723D-01
      4  -0.817419D+01 -0.414873D-01 -0.626432D+01 -0.512275D+00 -0.845358D+01
      5  -0.176892D+00 -0.367462D+01 -0.765301D-02  0.319502D+01 -0.129042D-01
      6  -0.336363D+01  0.257909D+00 -0.422018D+01 -0.738708D-02  0.226880D+01
                36            37            38            39            40 
      1   0.624972D+00 -0.623896D+00  0.130147D+00 -0.561038D+01  0.305581D+01
      2   0.643665D+00 -0.389863D+01 -0.465923D+01  0.350517D+01 -0.573723D+01
      3  -0.126864D+01  0.452253D+01  0.452908D+01  0.210521D+01  0.268143D+01
      4   0.917008D-02 -0.391030D+01  0.130834D+02  0.876311D+01  0.833040D+01
      5   0.970902D+00 -0.282805D+01  0.182629D+01  0.568056D+01  0.497018D+00
      6  -0.114525D-01  0.745905D+01 -0.691505D+01 -0.245183D+01 -0.732104D+01
                41            42            43            44            45 
      1   0.121436D+02 -0.217027D+00 -0.102825D+01  0.110033D+01  0.936083D+01
      2  -0.147906D+02 -0.162240D+01  0.133291D+01 -0.106265D+01  0.459549D+01
      3   0.264697D+01  0.183942D+01 -0.304660D+00 -0.376783D-01 -0.139563D+02
      4  -0.107571D+02 -0.579096D+01  0.527365D+01 -0.310613D+01 -0.191319D+01
      5  -0.720589D+01 -0.262337D+01  0.551306D+01 -0.570027D+00  0.498241D+01
      6   0.227431D+01  0.671354D+01 -0.111689D+01  0.453457D+01 -0.519288D+01
                46            47            48            49            50 
      1   0.968628D+01 -0.661334D+01  0.127225D+02 -0.567005D+01 -0.138513D+02
      2  -0.545340D+01  0.141039D+02 -0.534570D+01  0.154096D+02  0.289288D+00
      3  -0.423288D+01 -0.749060D+01 -0.737678D+01 -0.973957D+01  0.135620D+02
      4  -0.322609D+01 -0.196547D+02 -0.618963D+01 -0.253404D+02  0.260725D+02
      5   0.106047D+02  0.116998D+01 -0.955828D+01 -0.149878D+00  0.211883D+02
      6  -0.754120D+01  0.442511D+01  0.131297D+01  0.101512D+02 -0.139157D+02
                51            52            53            54            55 
      1   0.499874D+01  0.976364D+01  0.506231D+01 -0.558561D+01 -0.389811D+02
      2  -0.123783D+02 -0.335604D+01 -0.109563D+02  0.265019D+01  0.242938D+02
      3   0.737955D+01 -0.640760D+01  0.589398D+01  0.293542D+01  0.146873D+02
      4   0.183268D+02 -0.578802D+01  0.149086D+02 -0.487565D+00  0.180899D+02
      5  -0.394419D+01 -0.821105D+01 -0.235312D+01 -0.385139D+01 -0.259233D+02
      6  -0.347333D+01  0.207084D+01 -0.449084D+01  0.403301D+01  0.847093D+01
                56            57            58            59            60 
      1   0.100004D+02 -0.231436D+02  0.558503D+01  0.181005D+02 -0.825977D+01
      2  -0.110489D+02  0.132122D+02 -0.813707D+01 -0.917668D+01  0.104881D+02
      3   0.104846D+01  0.993140D+01  0.255204D+01 -0.892380D+01 -0.222836D+01
      4   0.774211D+01  0.841620D+01  0.104784D+02 -0.725114D+01 -0.759078D+01
      5   0.223411D+01 -0.541554D+01 -0.341602D+01 -0.794966D+01  0.471304D+01
      6   0.606128D+01 -0.685287D+00  0.465376D+01  0.982506D+01 -0.103010D+02
                61            62            63            64            65 
      1  -0.197661D+02 -0.552638D+01  0.340408D-01  0.109241D+02 -0.582337D+01
      2   0.116413D+02  0.794340D+01 -0.394661D+01 -0.106645D+02  0.550025D+01
      3   0.812474D+01 -0.241703D+01  0.391257D+01 -0.259571D+00  0.323114D+00
      4   0.603446D+01 -0.645831D+01  0.404310D+01 -0.173522D+02 -0.571051D+01
      5  -0.660680D+01  0.388432D+01  0.457433D+01  0.117714D+02 -0.487940D+01
      6  -0.283041D+00 -0.784959D+01 -0.963437D+00 -0.302069D+01 -0.466382D+01
                66            67            68            69            70 
      1   0.652059D+01 -0.953716D+01 -0.995201D+01 -0.289617D+01  0.405863D+01
      2  -0.707175D+01  0.709617D+01  0.244193D+01  0.120682D+01 -0.386623D+01
      3   0.551166D+00  0.244099D+01  0.751008D+01  0.168935D+01 -0.192403D+00
      4  -0.780114D+01 -0.990726D+00 -0.308151D+01  0.622595D+01 -0.443777D+01
      5   0.906392D+01 -0.517356D+01  0.191720D+01 -0.160108D+01  0.572896D+01
      6  -0.132052D+01 -0.290669D+01 -0.193963D+01  0.414191D+01 -0.977863D+00
                71            72            73            74            75 
      1  -0.148009D+01  0.806895D+01  0.129476D+02  0.434349D+01  0.732143D+01
      2   0.276116D+01  0.668615D+01 -0.125895D+02 -0.437154D+01 -0.776294D+01
      3  -0.128108D+01 -0.147551D+02 -0.358016D+00  0.280523D-01  0.441505D+00
      4   0.247275D+01 -0.407127D+01  0.159815D+02 -0.671890D+01  0.745877D+01
      5  -0.168030D+01 -0.694296D+01  0.123076D+02  0.425558D+01  0.916077D+01
      6   0.433928D+01  0.784685D+00  0.218868D+01 -0.487739D+01  0.110733D+01
                76            77            78            79            80 
      1   0.854152D+01 -0.102700D+02  0.313710D+01  0.456420D+01  0.151414D+01
      2  -0.640383D+01  0.269091D+01 -0.140875D+01 -0.441131D+01 -0.280796D+01
      3  -0.213769D+01  0.757911D+01 -0.172835D+01 -0.152893D+00  0.129382D+01
      4  -0.221158D+01  0.395685D+01  0.570424D+01  0.416421D+01  0.205594D+01
      5   0.464268D+01  0.158727D+01  0.139958D+01  0.590569D+01  0.166119D+01
      6  -0.313834D+01  0.221385D+01  0.403571D+01  0.944978D+00  0.423656D+01
                81            82            83            84            85 
      1   0.846976D+01 -0.617524D+01 -0.294254D+01  0.101916D+02 -0.549457D+01
      2   0.632705D+01  0.913303D+01  0.289094D+01 -0.320890D+01  0.880924D+01
      3  -0.147968D+02 -0.295778D+01  0.515987D-01 -0.698269D+01 -0.331467D+01
      4   0.403136D+01 -0.586275D+01  0.290456D+01  0.513082D+01  0.298828D+01
      5  -0.699160D+01  0.895693D+01 -0.162528D+01 -0.124091D+01 -0.159038D+01
      6  -0.496258D+00  0.529388D+01 -0.477184D+01  0.498867D+01 -0.335491D+01
                86            87            88            89            90 
      1  -0.160142D+02  0.873173D+01  0.749198D+01  0.528882D+01  0.271879D+01
      2   0.152131D+02 -0.161520D+02 -0.559298D+00 -0.926088D+01  0.416678D+01
      3   0.801165D+00  0.742024D+01 -0.693269D+01  0.397206D+01 -0.688558D+01
      4   0.452230D+01 -0.369564D+01  0.620581D+01 -0.330213D+01  0.321400D+01
      5  -0.761729D+01  0.194433D+01 -0.193679D+00  0.846047D+00 -0.229882D+01
      6  -0.128984D+02  0.602313D+01  0.420699D+01  0.299010D+01  0.590274D+01
                91            92            93            94            95 
      1  -0.222130D+01  0.315763D+01 -0.691537D+01  0.573941D+01  0.146179D+02
      2  -0.459397D-01 -0.534518D+01  0.449361D+01 -0.107927D+02 -0.193758D+02
      3   0.226724D+01  0.218755D+01  0.242176D+01  0.505326D+01  0.475787D+01
      4  -0.554601D+01 -0.380871D+01 -0.133230D+02 -0.482132D+01 -0.107203D+02
      5  -0.585085D+01 -0.101037D+01 -0.366777D+01 -0.941991D+00  0.673227D+01
      6  -0.136140D+02  0.375417D+01 -0.875500D+01  0.399780D+01  0.288945D+02
                96            97            98            99           100 
      1  -0.152101D+02 -0.962961D+01 -0.204663D+02  0.295083D+01  0.689907D+02
      2   0.286252D+02  0.745722D+01  0.328741D+02 -0.705031D+01 -0.374325D+02
      3  -0.134151D+02  0.217239D+01 -0.124078D+02  0.409949D+01 -0.315583D+02
      4   0.570651D+01 -0.152439D+02  0.863279D+01 -0.120373D+02 -0.301466D+02
      5  -0.943113D+00 -0.531711D+01 -0.406668D+01 -0.189725D+00  0.312805D+02
      6  -0.104392D+02 -0.120675D+02 -0.137881D+02  0.185368D+01 -0.914081D+01
               101           102           103           104           105 
      1  -0.907557D+01  0.186546D+02  0.172556D+01  0.576742D+01  0.229890D+01
      2   0.233376D+01 -0.127122D+02 -0.456656D+01 -0.178577D+01 -0.349543D+01
      3   0.674181D+01 -0.594242D+01  0.284100D+01 -0.398165D+01  0.119653D+01
      4   0.129599D+02 -0.834728D+01  0.107760D+02 -0.556100D+01  0.433118D+01
      5  -0.458721D+01  0.180477D+02  0.617140D+00  0.548765D+01 -0.611250D+00
      6   0.310792D+01 -0.614589D+01  0.292024D+01 -0.329097D+01  0.378951D+01
               106           107           108           109           110 
      1   0.146804D+02 -0.599314D+00  0.110142D+02 -0.298898D+01 -0.929772D+01
      2  -0.119511D+02 -0.674650D+00 -0.917652D+01  0.291888D+01  0.866178D+01
      3  -0.272934D+01  0.127396D+01 -0.183766D+01  0.700964D-01  0.635936D+00
      4  -0.792660D+01  0.443908D+01 -0.701619D+01 -0.277750D-01 -0.100018D+01
      5   0.207861D+02 -0.409555D+01  0.134275D+02  0.300987D+01 -0.661796D+00
      6  -0.705600D+01  0.449233D+01 -0.472205D+01 -0.516149D+01 -0.571334D+01
               111           112           113           114           115 
      1   0.879934D+01 -0.562059D+01 -0.193943D+02  0.102201D+02  0.578459D+01
      2  -0.473725D+01  0.372064D+01  0.244699D+02 -0.927172D+01 -0.258017D+01
      3  -0.406209D+01  0.189996D+01 -0.507567D+01 -0.948333D+00 -0.320442D+01
      4  -0.199954D+01  0.433476D+01 -0.145740D+02  0.689001D+01 -0.453195D+01
      5  -0.730319D+00 -0.181354D+01  0.709068D+01 -0.871200D+01  0.319636D+01
      6   0.514449D+01 -0.745852D+00 -0.182885D+02  0.144662D+02  0.459669D+00
               116           117           118           119           120 
      1   0.776360D+01 -0.100460D+02  0.147150D+02 -0.934458D+01 -0.514661D+01
      2  -0.596288D+01  0.478177D+01 -0.396242D+00 -0.320003D+01  0.129726D+01
      3  -0.180072D+01  0.526421D+01 -0.143187D+02  0.125446D+02  0.384935D+01
      4   0.695491D+01 -0.542036D+01 -0.243636D+02  0.231084D+02  0.764065D+01
      5  -0.674503D+01  0.800967D+01 -0.109933D+02  0.716960D+01  0.874022D+01
      6   0.131526D+02 -0.134357D+02  0.725606D+01 -0.574358D+01 -0.462293D+01
               121           122           123           124           125 
      1  -0.800965D+01 -0.754305D+00 -0.182948D+01 -0.359893D+01 -0.178459D+01
      2  -0.904889D+01  0.246534D+02  0.685490D+01  0.958394D+00  0.399502D+01
      3   0.170585D+02 -0.238991D+02 -0.502542D+01  0.264053D+01 -0.221044D+01
      4   0.323562D+02 -0.449946D+02 -0.151538D+02  0.880420D+01 -0.122078D+02
      5   0.987015D+01 -0.153959D+02 -0.101330D+02  0.115606D+02 -0.107410D+02
      6  -0.102728D+02  0.181591D+02  0.116160D+02 -0.795027D+01  0.122843D+02
               126           127           128           129           130 
      1   0.735525D+00  0.231048D+02  0.762500D+01 -0.989139D+01  0.157153D+02
      2   0.157121D+01 -0.165704D+02 -0.686872D+01  0.835369D+01 -0.134155D+02
      3  -0.230673D+01 -0.653445D+01 -0.756285D+00  0.153769D+01 -0.229974D+01
      4  -0.116608D+02  0.184249D+01  0.676747D+01 -0.418514D-01  0.703684D+01
      5  -0.882699D+01 -0.153671D+02 -0.399729D+01  0.125785D+02 -0.914019D+01
      6   0.855606D+01  0.911284D+00 -0.185977D+01 -0.193780D+01 -0.277629D+01
               131           132           133           134           135 
      1   0.927198D+01 -0.549869D+01 -0.959680D+01 -0.153592D+01  0.643281D+01
      2  -0.860006D+01  0.877133D+01  0.918206D+01  0.501592D+01 -0.109764D+02
      3  -0.671926D+00 -0.327264D+01  0.414738D+00 -0.348000D+01  0.454355D+01
      4   0.888254D+01 -0.731240D+01  0.164255D+01 -0.618629D+01  0.285676D+01
      5  -0.104161D+02  0.116392D+02  0.134708D+02  0.585461D+01 -0.151577D+02
      6  -0.175985D+01  0.505956D+00 -0.150478D+01  0.245297D+01  0.123679D+01
               136           137           138           139           140 
      1   0.178122D+02  0.107529D+02 -0.579156D+01  0.101790D+02  0.229674D+01
      2  -0.211741D+01  0.223170D+01  0.171590D+01  0.722021D+01  0.202720D+02
      3  -0.156948D+02 -0.129846D+02  0.407566D+01 -0.173992D+02 -0.225687D+02
      4   0.261689D+02  0.237529D+02 -0.801068D+01  0.331404D+02  0.434843D+02
      5  -0.121105D+02 -0.760728D+01  0.937146D+01 -0.104759D+02 -0.154240D+02
      6  -0.747536D+01 -0.589288D+01  0.471140D+01 -0.102773D+02 -0.168046D+02
               141           142           143           144           145 
      1   0.760373D+00 -0.427525D+01  0.962130D+00  0.173696D+01  0.218739D+02
      2  -0.561186D+01  0.159328D+01 -0.303920D+01  0.570173D+00 -0.154396D+02
      3   0.485149D+01  0.268197D+01  0.207707D+01 -0.230714D+01 -0.643435D+01
      4  -0.151664D+02 -0.903429D+01 -0.120190D+02  0.116763D+02 -0.284681D+01
      5   0.102376D+02  0.123545D+02  0.107510D+02 -0.920267D+01 -0.147346D+02
      6   0.109821D+02  0.793710D+01  0.114857D+02 -0.818085D+01 -0.464967D+00
               146           147           148           149           150 
      1  -0.756504D+01 -0.957854D+01 -0.156703D+02  0.942455D+01  0.524929D+01
      2   0.661943D+01  0.792830D+01  0.131082D+02 -0.854134D+01 -0.844136D+01
      3   0.945609D+00  0.165024D+01  0.256204D+01 -0.883206D+00  0.319208D+01
      4   0.719023D+01  0.540772D+00  0.798944D+01 -0.102020D+02 -0.793073D+01
      5   0.412280D+01  0.121195D+02  0.917480D+01 -0.108899D+02 -0.121249D+02
      6  -0.192511D+01  0.143379D+01 -0.305870D+01  0.239689D+01  0.935976D+00
               151           152           153           154           155 
      1  -0.958003D+01  0.136872D+01  0.613105D+01  0.720677D+02  0.744043D+01
      2   0.901682D+01 -0.483730D+01 -0.106246D+02 -0.399672D+02 -0.186439D+01
      3   0.563204D+00  0.346859D+01  0.449350D+01 -0.321004D+02 -0.557604D+01
      4  -0.113378D+01 -0.641778D+01 -0.357259D+01  0.265991D+02  0.115308D+02
      5   0.131951D+02 -0.627772D+01 -0.150758D+02  0.320232D+02  0.361402D+01
      6   0.104476D+01  0.267438D+01 -0.551044D+00  0.810944D+01  0.269363D+01
               156           157           158           159           160 
      1   0.193897D+02 -0.354501D+01  0.597157D+01 -0.277278D+01  0.153745D+02
      2  -0.133358D+02  0.523703D+01 -0.230729D+01  0.369604D+01 -0.125998D+02
      3  -0.605393D+01 -0.169202D+01 -0.366428D+01 -0.923260D+00 -0.277469D+01
      4   0.720557D+01  0.101740D+02  0.433390D+01  0.425424D+01  0.690575D+01
      5   0.184099D+02 -0.163257D+01  0.548636D+01 -0.314363D-01  0.212964D+02
      6   0.553573D+01  0.273623D+01  0.283342D+01  0.351287D+01  0.634652D+01
               161           162           163           164           165 
      1   0.290152D+00  0.116438D+02 -0.227109D+01  0.861682D+01  0.857847D+01
      2   0.842890D+00 -0.978611D+01  0.234396D+01 -0.778684D+01 -0.457688D+01
      3  -0.113304D+01 -0.185774D+01 -0.728732D-01 -0.829982D+00 -0.400159D+01
      4   0.409934D+01  0.613729D+01  0.458356D+00 -0.119951D+01  0.166571D+01
      5   0.336499D+01  0.136578D+02  0.334243D+01  0.536078D+00 -0.612450D+00
      6   0.403283D+01  0.414867D+01  0.474262D+01 -0.532162D+01 -0.458362D+01
               166           167           168           169           170 
      1   0.530024D+01 -0.187114D+02 -0.996562D+01  0.583990D+01 -0.747044D+01
      2  -0.319692D+01  0.236809D+02  0.884140D+01 -0.271738D+01  0.553601D+01
      3  -0.210332D+01 -0.496956D+01  0.112422D+01 -0.312253D+01  0.193442D+01
      4   0.460487D+01  0.162839D+02  0.761210D+01  0.444283D+01  0.735842D+01
      5   0.195953D+01  0.774152D+01  0.935547D+01  0.343899D+01  0.714157D+01
      6  -0.276192D+00  0.182198D+02  0.142809D+02 -0.879982D-01  0.129035D+02
               171           172           173           174           175 
      1  -0.959064D+01  0.118399D+02 -0.627577D+01 -0.509761D-01 -0.111135D+02
      2   0.433573D+01 -0.401219D+01  0.271990D+01 -0.326010D+00  0.611990D+01
      3   0.525491D+01 -0.782768D+01  0.355587D+01  0.376987D+00  0.499356D+01
      4   0.601745D+01 -0.106324D+02  0.111194D+02 -0.230156D+01  0.890372D+01
      5   0.852164D+01  0.287906D+01 -0.311652D+01  0.276395D+01 -0.813758D+01
      6   0.130620D+02 -0.274803D+01  0.370712D+01 -0.135363D+01  0.420140D+01
               176           177           178           179           180 
      1   0.457860D+01 -0.217478D+01 -0.599623D+01  0.906602D+00 -0.118106D+01
      2   0.698146D+00  0.365066D+01  0.321224D+01  0.931698D+00 -0.591570D+00
      3  -0.527675D+01 -0.147588D+01  0.278399D+01 -0.183830D+01  0.177263D+01
      4  -0.171744D+02  0.169396D+01 -0.223606D+01 -0.215188D+01 -0.380807D+01
      5   0.311272D+01 -0.560656D+01 -0.150535D+00 -0.313251D+01  0.516607D+00
      6  -0.660534D+01  0.195365D+01 -0.113276D+01  0.882814D+00 -0.169774D+01
               181           182           183           184           185 
      1  -0.387507D+01 -0.322085D+00  0.296231D+01  0.234714D+00 -0.109141D+01
      2   0.149603D+01 -0.332759D+00  0.189559D+01 -0.803501D-01 -0.190610D+01
      3   0.237904D+01  0.654844D+00 -0.485789D+01 -0.154364D+00  0.299751D+01
      4  -0.298202D+01  0.478259D+00 -0.622922D+00  0.312329D+01 -0.187782D+00
      5  -0.168403D+01 -0.475002D+00  0.420349D+00 -0.501776D+00  0.295936D+01
      6   0.127809D+00  0.752151D+00 -0.846864D-01  0.159151D+01 -0.283433D+00
               186           187           188           189           190 
      1   0.175373D-02  0.265536D+01  0.184565D+01 -0.166777D+02 -0.431502D+01
      2   0.753028D+00 -0.569882D+01  0.162936D+01 -0.185137D+02  0.602665D+01
      3  -0.754782D+00  0.304347D+01 -0.347502D+01  0.351913D+02 -0.171162D+01
      4   0.322578D+01  0.112428D+01  0.426440D+01 -0.347640D+01 -0.439020D+01
      5  -0.651532D+00  0.797038D+01 -0.218680D+01  0.224872D+02  0.279479D+01
      6   0.524252D+01  0.271627D+00  0.360090D+01  0.778988D+00  0.185474D+00
               191           192           193           194           195 
      1   0.617186D+01 -0.170346D+01  0.679639D+01 -0.195201D+02  0.419856D+01
      2  -0.782258D+01  0.959122D+00 -0.675779D+01  0.301795D+02 -0.329285D+01
      3   0.165072D+01  0.744342D+00 -0.386025D-01 -0.106594D+02 -0.905709D+00
      4   0.674595D+00  0.179328D+01  0.590794D+01  0.159372D+01 -0.333983D+00
      5  -0.442822D+00 -0.846126D+00 -0.290764D+01  0.191720D+01  0.888417D+00
      6   0.639881D+01 -0.307122D+01  0.180867D+01 -0.111922D+02  0.606166D+01
               196           197           198           199           200 
      1   0.152731D+01  0.102102D+01 -0.441900D+01 -0.378744D+00  0.136423D+01
      2  -0.131930D+01  0.229655D+01  0.242370D+01 -0.248519D+01 -0.100804D+01
      3  -0.208015D+00 -0.331756D+01  0.199529D+01  0.286393D+01 -0.356197D+00
      4   0.321885D+01  0.370772D+01 -0.170886D+01  0.126917D+00 -0.720714D+00
      5  -0.108179D+01 -0.208550D+00  0.772459D+00 -0.179506D+01  0.224011D+00
      6  -0.226946D+01  0.250064D+01 -0.177984D+01 -0.390214D+00  0.217569D+01
               201           202           203           204           205 
      1  -0.326951D+01 -0.124603D+01 -0.381830D+01  0.285979D+00 -0.303642D+01
      2   0.808424D+00  0.102746D+01  0.138148D+01 -0.428002D+01  0.253473D+01
      3   0.246108D+01  0.218573D+00  0.243682D+01  0.399404D+01  0.501693D+00
      4  -0.891877D+00 -0.216990D+01 -0.341068D+01  0.243212D+00 -0.382969D+01
      5   0.373830D+01  0.100712D+01  0.642862D+00 -0.221520D+01  0.416317D+01
      6  -0.184088D+01  0.201869D+01 -0.487847D+00  0.201276D+01  0.777972D+00
               206           207           208           209           210 
      1   0.459916D+01 -0.203207D+02 -0.466640D+01 -0.675595D+01 -0.203528D+01
      2  -0.595446D+00 -0.140888D+02  0.641258D+01  0.877480D+01  0.125291D+01
      3  -0.400371D+01  0.344095D+02 -0.174619D+01 -0.201885D+01  0.782368D+00
      4  -0.273614D+01 -0.535798D+00  0.492580D+01  0.107795D+01 -0.167413D+01
      5   0.288348D+01 -0.139553D+02  0.281598D+01  0.694125D+00 -0.751815D+00
      6   0.729459D+01 -0.181004D+02  0.729100D-01  0.683039D+01  0.336431D+01
               211           212           213           214           215 
      1  -0.693219D+01 -0.189467D+02 -0.408983D+01  0.120519D+01 -0.710792D+00
      2   0.727627D+01  0.295117D+02  0.321951D+01 -0.114456D+01 -0.262580D+01
      3  -0.344083D+00 -0.105650D+02  0.870315D+00 -0.606334D-01  0.333659D+01
      4   0.626143D+01  0.234006D+00  0.514072D-01 -0.319504D+01  0.379508D+01
      5   0.294939D+01  0.223027D+01 -0.593054D+00 -0.989624D+00  0.365673D+00
      6   0.214071D+01  0.106547D+02  0.593238D+01  0.243332D+01  0.235862D+01
               216           217           218           219           220 
      1  -0.425267D+01 -0.436057D+00 -0.155587D+01 -0.319475D+01  0.921844D+00
      2   0.225928D+01 -0.244473D+01  0.121764D+01  0.908741D+00 -0.682838D+00
      3   0.199339D+01  0.288078D+01  0.338223D+00  0.228601D+01 -0.239006D+00
      4   0.201642D+01 -0.326363D+00 -0.450582D+00  0.108891D+01 -0.208926D+01
      5   0.848855D+00 -0.180621D+01 -0.201954D-01  0.390742D+01 -0.802582D+00
      6   0.172495D+01  0.666986D+00  0.218125D+01  0.176675D+01  0.205225D+01
               221           222           223           224           225 
      1  -0.350305D+01 -0.141989D+00 -0.290468D+01 -0.473243D+01 -0.202644D+02
      2   0.107637D+01  0.419688D+01  0.221181D+01  0.723081D+00 -0.141030D+02
      3   0.242668D+01 -0.405489D+01  0.692873D+00  0.400935D+01  0.343674D+02
      4   0.375181D+01  0.405648D+00  0.395796D+01 -0.268026D+01  0.788352D+00
      5   0.712538D+00  0.210889D+01  0.400258D+01 -0.275415D+01 -0.131212D+02
      6   0.282398D+00  0.185629D+01 -0.633840D+00  0.747839D+01  0.187336D+02
               226           227           228           229           230 
      1   0.134333D+02  0.692417D+01  0.210265D+00  0.115146D+02  0.508238D+01
      2  -0.525321D+01 -0.349776D+01 -0.629522D+00 -0.669743D+01 -0.909154D-01
      3  -0.818008D+01 -0.342640D+01  0.419257D+00 -0.481717D+01 -0.499146D+01
      4   0.107512D+02  0.109430D+02  0.234742D+01  0.838809D+01  0.162182D+02
      5   0.342647D+01  0.328685D+01  0.301395D+01  0.830206D+01  0.282165D+01
      6   0.293864D+01  0.373655D+01  0.130036D+01  0.402671D+01  0.607715D+01
               231           232           233           234           235 
      1   0.234490D+01 -0.583104D+01 -0.810965D+00 -0.863931D+00 -0.359391D+01
      2  -0.383057D+01  0.298166D+01 -0.919403D+00 -0.886978D+00  0.122609D+01
      3   0.148567D+01  0.284938D+01  0.173037D+01  0.175091D+01  0.236782D+01
      4   0.132058D+01  0.253299D+01 -0.228696D+01  0.381496D+01  0.332802D+01
      5   0.557578D+01  0.281075D-01  0.317547D+01  0.565658D+00 -0.162112D+01
      6   0.168986D+01  0.115025D+01  0.723032D+00  0.167010D+01  0.277497D-01
               236           237           238           239           240 
      1   0.466982D+00  0.303441D+01  0.140026D+00 -0.109619D+01  0.126615D+00
      2   0.156566D+00  0.179559D+01 -0.320841D+00 -0.191847D+01 -0.111050D+01
      3  -0.623548D+00 -0.483001D+01  0.180815D+00  0.301466D+01  0.983887D+00
      4   0.338359D+00  0.696485D+00  0.299680D+01 -0.345605D-02  0.316054D+01
      5   0.710103D+00  0.459943D+00  0.759064D+00  0.290937D+01  0.857031D+00
      6   0.737592D+00  0.293243D+00  0.158066D+01  0.524893D-01  0.519773D+01
               241           242           243           244           245 
      1   0.246884D+01 -0.159143D+01 -0.163817D+02 -0.213311D+01 -0.267322D+01
      2  -0.565578D+01 -0.175701D+01 -0.188003D+02  0.153441D+00  0.478473D+01
      3   0.318694D+01  0.334844D+01  0.351819D+02  0.197967D+01 -0.211151D+01
      4  -0.130562D+01  0.432247D+01  0.338633D+01  0.542115D+01 -0.327481D+01
      5   0.803183D+01  0.199911D+01  0.224039D+02 -0.514761D+01  0.167184D+01
      6  -0.463672D+00  0.352607D+01 -0.174067D+01  0.141306D+02  0.169876D+01
               246           247           248           249           250 
      1  -0.499886D+01 -0.533055D+01  0.157498D+02  0.158278D+02 -0.729746D+01
      2   0.193071D+01  0.102426D+02 -0.206867D+02 -0.291148D+02  0.456544D+01
      3   0.306815D+01 -0.491201D+01  0.493684D+01  0.132870D+02  0.273202D+01
      4   0.139603D+02 -0.378341D+01  0.938986D+01  0.309093D+01  0.162269D+02
      5  -0.328143D+01  0.157747D+01  0.530712D+01  0.590616D+00 -0.464518D+01
      6   0.849908D+01  0.199633D+01 -0.293834D+02 -0.107521D+02  0.116677D+02
               251           252           253           254           255 
      1   0.215646D+02  0.399919D+01 -0.522000D+01  0.270674D+01  0.927861D+01
      2  -0.338918D+02 -0.815999D+01  0.807231D+01 -0.284621D+01 -0.200034D+01
      3   0.123272D+02  0.416080D+01 -0.285231D+01  0.139473D+00 -0.727826D+01
      4   0.554119D+01  0.115599D+02  0.675844D+01  0.225923D+01 -0.585986D+01
      5   0.368646D+01 -0.303508D+00  0.881246D+01  0.675041D+00 -0.155355D+01
      6  -0.145858D+02 -0.176724D+01 -0.607714D+01 -0.398157D+01 -0.459956D+01
               256           257           258           259           260 
      1   0.525616D+01 -0.166564D+02 -0.938496D+01  0.670562D+01 -0.584013D+01
      2  -0.872093D+01  0.160476D+02  0.164918D+02  0.411265D+00  0.945638D+01
      3   0.346476D+01  0.608886D+00 -0.710689D+01 -0.711689D+01 -0.361625D+01
      4   0.191271D+01 -0.325477D+01 -0.232355D+01 -0.670087D+01 -0.231884D+01
      5   0.671864D+00 -0.711734D+01 -0.156430D+01 -0.473121D+00 -0.669439D+00
      6  -0.256156D+01  0.134165D+02  0.624845D+01 -0.403580D+01  0.322798D+01
               261           262           263           264           265 
      1   0.241936D+01  0.171522D+02 -0.294680D+01 -0.537469D+01 -0.374074D+00
      2   0.450775D+01 -0.151048D+02  0.591499D+01  0.765861D+01  0.215707D+01
      3  -0.692711D+01 -0.204738D+01 -0.296818D+01 -0.228391D+01 -0.178299D+01
      4  -0.310898D+01  0.146910D+02  0.580027D+01 -0.687033D+01  0.124324D+01
      5  -0.253022D+01 -0.172959D+02 -0.232584D+01  0.106524D+02  0.239763D+01
      6  -0.586059D+01 -0.693374D+01 -0.342639D+01  0.615020D+01 -0.405790D-01
               266           267           268           269           270 
      1   0.456947D+01 -0.709642D+00 -0.360885D+01 -0.895316D+00  0.148087D+01
      2  -0.320841D+01 -0.153017D+00  0.682520D+01  0.200794D+01 -0.720220D+01
      3  -0.136106D+01  0.862659D+00 -0.321635D+01 -0.111262D+01  0.572133D+01
      4   0.130287D+00  0.462801D+00 -0.279142D+01  0.539257D-01  0.297762D+01
      5  -0.150733D+00 -0.125336D+01  0.787687D+01 -0.109613D+00 -0.714598D+01
      6   0.184401D+01 -0.338222D+00  0.319821D+01  0.105526D+01 -0.469504D+01
               271           272           273           274           275 
      1  -0.312689D+00  0.616960D+01 -0.731670D+01  0.181771D+01 -0.169271D+01
      2  -0.430500D+01 -0.628870D+01 -0.167873D+01 -0.190867D+01 -0.566965D+00
      3   0.461769D+01  0.119103D+00  0.899542D+01  0.909622D-01  0.225967D+01
      4  -0.365737D+01 -0.101435D+01 -0.329170D+01 -0.781402D-01 -0.211083D+01
      5   0.176076D+01  0.346519D+00  0.328264D+01 -0.440765D-01  0.232963D+01
      6  -0.257420D+01  0.552376D+01 -0.843046D+01  0.253452D+01 -0.229745D+01
               276           277           278           279           280 
      1   0.146795D+01 -0.261044D+01  0.586922D+01 -0.148395D+02  0.125499D+02
      2  -0.538795D+00 -0.102013D+01 -0.211380D+01 -0.123186D+02 -0.292094D+01
      3  -0.929156D+00  0.363057D+01 -0.375541D+01  0.271581D+02 -0.962893D+01
      4   0.134618D+01 -0.330967D+01 -0.772363D+00 -0.295422D+01  0.253080D+02
      5  -0.103387D+01  0.386792D+01  0.250942D+00 -0.137596D+01  0.767382D+01
      6   0.497047D+01 -0.182323D+01  0.734090D+01 -0.199085D+02  0.991302D+01
               281           282           283           284           285 
      1  -0.252848D+01  0.461504D+01 -0.337864D+01 -0.147288D+01 -0.912491D+00
      2   0.102581D+02 -0.146733D+01  0.758238D+01  0.589987D+01  0.131119D+01
      3  -0.772959D+01 -0.314771D+01 -0.420374D+01 -0.442699D+01 -0.398701D+00
      4   0.120172D+02  0.979483D+01  0.659071D+01  0.911103D+01  0.199863D+01
      5   0.162416D+01  0.647075D+01  0.652500D+00  0.187192D+01  0.768224D+00
      6   0.295960D+01  0.861965D+01  0.123859D+01  0.194842D+01  0.360247D+01
               286           287           288           289           290 
      1   0.528202D+01 -0.108526D+01  0.663183D+00 -0.335523D+01 -0.875991D+00
      2  -0.238198D+01  0.455478D+01  0.480766D+00  0.857928D+01  0.587581D+01
      3  -0.290004D+01 -0.346951D+01 -0.114395D+01 -0.522406D+01 -0.499982D+01
      4   0.157325D+02  0.608782D+01  0.107224D+02  0.786736D+01  0.154928D+02
      5   0.800471D+01  0.310520D+01  0.787510D+01 -0.149268D+01 -0.341331D+01
      6   0.111307D+02  0.806909D+01  0.136108D+02 -0.459849D+01 -0.433213D+01
               291           292           293           294           295 
      1   0.104585D+01 -0.428158D+01 -0.354008D+02  0.128781D+02  0.384239D+01
      2  -0.232114D+01  0.105783D+02  0.629061D+02 -0.201839D+02 -0.566855D+01
      3   0.127529D+01 -0.629667D+01 -0.275052D+02  0.730584D+01  0.182616D+01
      4  -0.476533D+01  0.122916D+02  0.192910D+02 -0.745857D+01 -0.547768D+01
      5   0.375865D+01 -0.198276D+01 -0.472180D+01  0.312575D+01  0.416596D+01
      6   0.357574D+01 -0.606765D+01 -0.292718D+02  0.183089D+02  0.742573D+01
               296           297           298           299           300 
      1   0.192517D+02 -0.131389D+02 -0.377789D+01  0.775881D+00  0.857869D+00
      2  -0.276676D+02  0.156382D+02  0.854536D+01 -0.477643D+01 -0.182474D+01
      3   0.841591D+01 -0.249926D+01 -0.476747D+01  0.400055D+01  0.966869D+00
      4  -0.104793D+02  0.831263D+01 -0.615738D+01  0.147722D+02  0.439310D+01
      5   0.521960D+01 -0.459371D+01 -0.109316D+01  0.312841D+01  0.350045D+01
      6   0.265830D+02 -0.215459D+02  0.430212D+01 -0.338456D+01 -0.292919D+01
               301           302           303           304           305 
      1   0.385682D+01 -0.371869D+02 -0.135014D+02  0.339786D+01 -0.203396D+02
      2  -0.912855D+01  0.651396D+02  0.208539D+02 -0.484611D+01  0.288817D+02
      3   0.527173D+01 -0.279527D+02 -0.735248D+01  0.144825D+01 -0.854214D+01
      4   0.111667D+02 -0.160050D+02 -0.614291D+01  0.466054D+01 -0.858678D+01
      5   0.161129D+01 -0.362546D+01 -0.246168D+01  0.364901D+01 -0.420678D+01
      6  -0.501282D+01  0.298584D+02  0.185247D+02 -0.638913D+01  0.271425D+02
               306           307           308           309           310 
      1  -0.138255D+02  0.105885D+02  0.288272D+01  0.375542D+01  0.330253D+01
      2   0.163391D+02 -0.145073D+01 -0.108077D+02 -0.564148D+00 -0.769554D+01
      3  -0.251352D+01 -0.913779D+01  0.792494D+01 -0.319127D+01  0.439301D+01
      4  -0.699338D+01 -0.252002D+02  0.121228D+02 -0.100245D+02  0.681829D+01
      5  -0.363223D+01  0.715962D+01 -0.180253D+01  0.606711D+01 -0.865507D+00
      6   0.217079D+02 -0.101003D+02  0.349641D+01 -0.877896D+01  0.165620D+01
               311           312           313           314           315 
      1  -0.258945D+01  0.878953D+00  0.391925D+01  0.137347D+01 -0.287203D+00
      2   0.750913D+01 -0.140056D+01 -0.115020D+01 -0.494331D+01  0.144745D+01
      3  -0.491968D+01  0.521609D+00 -0.276905D+01  0.356984D+01 -0.116025D+01
      4  -0.954383D+01  0.233515D+01 -0.157728D+02  0.651091D+01 -0.107336D+02
      5   0.183399D+01 -0.879658D+00  0.739033D+01 -0.312115D+01  0.727874D+01
      6  -0.219851D+01  0.400147D+01 -0.111236D+02  0.872910D+01 -0.139889D+02
               316           317           318           319           320 
      1   0.158487D+02  0.289540D+01 -0.466575D+01 -0.927006D-01  0.427290D+01
      2  -0.140352D+02 -0.591534D+01  0.700696D+01 -0.172177D+01 -0.272137D+01
      3  -0.181349D+01  0.301994D+01 -0.234120D+01  0.181447D+01 -0.155153D+01
      4  -0.158259D+02  0.601842D+01  0.747245D+01  0.176520D+01 -0.871271D+00
      5  -0.169051D+02  0.296969D+01  0.104018D+02 -0.157592D+01 -0.220317D+00
      6   0.757056D+01 -0.391295D+01 -0.665350D+01 -0.348494D+00 -0.158540D+01
               321           322           323           324           325 
      1   0.972876D+00 -0.328151D+01  0.104197D+01  0.118766D+01 -0.376897D+00
      2  -0.205498D+00  0.645364D+01 -0.228458D+01 -0.691343D+01 -0.424459D+01
      3  -0.767378D+00 -0.317213D+01  0.124261D+01  0.572577D+01  0.462149D+01
      4   0.112682D+00  0.330565D+01 -0.215570D+00 -0.337442D+01  0.343993D+01
      5   0.740423D+00  0.777092D+01 -0.215377D+00 -0.695960D+01  0.187555D+01
      6  -0.727998D-01 -0.353848D+01  0.123715D+01  0.504076D+01  0.287956D+01
               326           327           328           329           330 
      1  -0.624535D+01 -0.703848D+01 -0.185620D+01 -0.117591D+01 -0.106223D+01
      2   0.648334D+01 -0.197516D+01  0.205032D+01 -0.111245D+01  0.527437D+00
      3  -0.237985D+00  0.901364D+01 -0.194119D+00  0.228836D+01  0.534798D+00
      4  -0.503980D+00  0.360264D+01  0.336324D-01  0.217370D+01  0.126694D+01
      5  -0.590950D-01  0.372646D+01  0.190444D+00  0.241179D+01  0.107953D+01
      6   0.546504D+01  0.845622D+01  0.249561D+01  0.187007D+01  0.456355D+01
               331           332           333 
      1  -0.258550D+01 -0.578820D+01 -0.145458D+02
      2  -0.122415D+01  0.222411D+01 -0.126133D+02
      3   0.380964D+01  0.356409D+01  0.271592D+02
      4   0.334910D+01 -0.553668D+00  0.306331D+01
      5   0.395377D+01 -0.937075D-01 -0.470893D+00
      6   0.199295D+01  0.722912D+01  0.199528D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.658671D-03      0.167418D-02      0.558445D-02
   y          0.143809D-01      0.365526D-01      0.121926D+00
   z          0.725989D-03      0.184528D-02      0.615519D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149422D+03      0.221421D+02      0.246364D+02
   yx        -0.441725D-02     -0.654570D-03     -0.728307D-03
   yy         0.148320D+03      0.219787D+02      0.244546D+02
   zx        -0.453560D-01     -0.672107D-02     -0.747820D-02
   zy        -0.468236D-04     -0.693854D-05     -0.772017D-05
   zz         0.120632D+03      0.178758D+02      0.198895D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143393D+03      0.212487D+02      0.236424D+02
   aniso      0.285181D+02      0.422595D+01      0.470200D+01
   xx         0.153464D+03      0.227410D+02      0.253027D+02
   yx        -0.969045D-02     -0.143598D-02     -0.159774D-02
   yy         0.152324D+03      0.225720D+02      0.251148D+02
   zx        -0.515867D-01     -0.764436D-02     -0.850549D-02
   zy         0.375667D-03      0.556681D-04      0.619391D-04
   zz         0.124393D+03      0.184331D+02      0.205096D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.63170140          1.56519360         -2.77330559
     6         -4.63491925         -1.28260134         -2.93006991
     7         -1.94868331         -2.20046724         -2.72415828
    45         -0.00033715          0.00025888          0.00223332
     7          2.06738136          1.91138398         -2.85031279
     6          4.75860935          0.98506499         -2.84288536
     6          4.74403713         -1.83123877         -2.39211776
     7          3.24147205         -2.35582258         -0.03335288
     7         -3.23342707          2.33310036         -0.41702454
     7          1.56310870          2.20941609          2.96034269
     6          1.18659769          0.86180546          5.43712811
     1          6.65944756         -2.56771819         -2.20264289
     1          3.84681089         -2.83895626         -3.94943791
     1          5.68506960          1.45299991         -4.62308593
     1          5.76803186          1.97940847         -1.34663991
     1         -5.48456994         -1.93423556         -4.69069712
     1         -5.71129724         -2.11756751         -1.38388476
     1         -6.55143104          2.31420944         -2.74583374
     1         -3.66379171          2.40780667         -4.38551415
     1         -4.42914598          2.17120471          1.08583249
     1         -2.84040798          4.21706091         -0.52205729
     1         -1.12845012         -2.09360158         -4.46469920
     1         -1.96699633         -4.08495861         -2.32070815
     1          1.32294939          1.62058459         -4.60378038
     1          2.07102177          3.82770644         -2.64543478
     1          4.36920616         -2.03755754          1.49673061
     1          2.84870975         -4.24138187          0.03829273
     6         -1.41829863         -0.30062832          5.44156318
     7         -1.69189832         -1.89654938          3.10276797
     1          3.42959843          2.64421984          2.76086658
     1          0.68108274          3.92080934          3.05632857
     1          2.64719557         -0.58231926          5.60950426
     1          1.42451777          2.17010910          7.01149378
     1         -1.72544698         -1.44075577          7.13056109
     1         -2.88217764          1.14983129          5.40223913
     1         -3.54901260         -2.35495197          2.87094007
     1         -0.81737675         -3.58656429          3.41140659

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.144143D-01      0.366374D-01      0.122209D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149365D+03      0.221336D+02      0.246269D+02
   yx        -0.126523D+01     -0.187488D+00     -0.208609D+00
   yy         0.120758D+03      0.178945D+02      0.199103D+02
   zx         0.107439D+00      0.159209D-01      0.177144D-01
   zy         0.139152D+01      0.206201D+00      0.229430D+00
   zz         0.148251D+03      0.219686D+02      0.244433D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143393D+03      0.212487D+02      0.236424D+02
   aniso      0.285181D+02      0.422595D+01      0.470200D+01
   xx         0.153406D+03      0.227325D+02      0.252933D+02
   yx        -0.127200D+01     -0.188490D+00     -0.209724D+00
   yy         0.124520D+03      0.184519D+02      0.205305D+02
   zx         0.104139D+00      0.154318D-01      0.171702D-01
   zy         0.140374D+01      0.208013D+00      0.231445D+00
   zz         0.152254D+03      0.225617D+02      0.251033D+02

 ----------------------------------------------------------------------
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 0015\\\@


 THERE ARE TWO THINGS THAT EVERYBODY THINKS THEY CAN DO BETTER THAN
 ANYONE ELSE - PUNCH THE FIRE, AND EDIT A DAILY PAPER.
 -- UNCLE ESEK, "CENTURY MAGAZINE", 1885
 Job cpu time:       2 days 19 hours  8 minutes  8.7 seconds.
 Elapsed time:       0 days  4 hours 12 minutes  4.6 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 01:50:59 2021.
